Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)

Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analo...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Reed, Zach D. [verfasserIn] Duncan, Michael A.

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2010

Schlagwörter:	Spin State Density Functional Calculation Singlet Ground State Metal Carbonyl Carbonyl Complex

Anmerkung:	© American Society for Mass Spectrometry 2010

Übergeordnetes Werk:	Enthalten in: Journal of the American Society for Mass Spectrometry - Washington, DC : ACS Publications, 1990, 21(2010), 5 vom: 28. Jan., Seite 739-749
Übergeordnetes Werk:	volume:21 ; year:2010 ; number:5 ; day:28 ; month:01 ; pages:739-749

Links:	Volltext

DOI / URN:	10.1016/j.jasms.2010.01.022

Katalog-ID:	SPR031502660

Internformat


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100	1		\|a Reed, Zach D. \|e verfasserin \|4 aut
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520			\|a Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes.
650		4	\|a Spin State \|7 (dpeaa)DE-He213
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700	1		\|a Duncan, Michael A. \|4 aut
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912			\|a GBV_USEFLAG_A
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912			\|a GBV_SPRINGER
912			\|a GBV_ILN_20
912			\|a GBV_ILN_22
912			\|a GBV_ILN_23
912			\|a GBV_ILN_24
912			\|a GBV_ILN_31
912			\|a GBV_ILN_32
912			\|a GBV_ILN_39
912			\|a GBV_ILN_40
912			\|a GBV_ILN_60
912			\|a GBV_ILN_62
912			\|a GBV_ILN_63
912			\|a GBV_ILN_65
912			\|a GBV_ILN_69
912			\|a GBV_ILN_70
912			\|a GBV_ILN_73
912			\|a GBV_ILN_74
912			\|a GBV_ILN_95
912			\|a GBV_ILN_100
912			\|a GBV_ILN_101
912			\|a GBV_ILN_105
912			\|a GBV_ILN_110
912			\|a GBV_ILN_120
912			\|a GBV_ILN_138
912			\|a GBV_ILN_150
912			\|a GBV_ILN_151
912			\|a GBV_ILN_152
912			\|a GBV_ILN_161
912			\|a GBV_ILN_170
912			\|a GBV_ILN_187
912			\|a GBV_ILN_213
912			\|a GBV_ILN_224
912			\|a GBV_ILN_230
912			\|a GBV_ILN_285
912			\|a GBV_ILN_293
912			\|a GBV_ILN_370
912			\|a GBV_ILN_602
912			\|a GBV_ILN_647
912			\|a GBV_ILN_702
912			\|a GBV_ILN_2001
912			\|a GBV_ILN_2003
912			\|a GBV_ILN_2004
912			\|a GBV_ILN_2005
912			\|a GBV_ILN_2006
912			\|a GBV_ILN_2007
912			\|a GBV_ILN_2009
912			\|a GBV_ILN_2010
912			\|a GBV_ILN_2011
912			\|a GBV_ILN_2014
912			\|a GBV_ILN_2015
912			\|a GBV_ILN_2020
912			\|a GBV_ILN_2021
912			\|a GBV_ILN_2025
912			\|a GBV_ILN_2026
912			\|a GBV_ILN_2027
912			\|a GBV_ILN_2031
912			\|a GBV_ILN_2034
912			\|a GBV_ILN_2037
912			\|a GBV_ILN_2038
912			\|a GBV_ILN_2039
912			\|a GBV_ILN_2044
912			\|a GBV_ILN_2049
912			\|a GBV_ILN_2050
912			\|a GBV_ILN_2055
912			\|a GBV_ILN_2056
912			\|a GBV_ILN_2059
912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
912			\|a GBV_ILN_2065
912			\|a GBV_ILN_2068
912			\|a GBV_ILN_2070
912			\|a GBV_ILN_2086
912			\|a GBV_ILN_2106
912			\|a GBV_ILN_2108
912			\|a GBV_ILN_2110
912			\|a GBV_ILN_2111
912			\|a GBV_ILN_2112
912			\|a GBV_ILN_2113
912			\|a GBV_ILN_2116
912			\|a GBV_ILN_2118
912			\|a GBV_ILN_2119
912			\|a GBV_ILN_2122
912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2144
912			\|a GBV_ILN_2147
912			\|a GBV_ILN_2148
912			\|a GBV_ILN_2152
912			\|a GBV_ILN_2153
912			\|a GBV_ILN_2188
912			\|a GBV_ILN_2190
912			\|a GBV_ILN_2232
912			\|a GBV_ILN_2336
912			\|a GBV_ILN_2507
912			\|a GBV_ILN_2522
912			\|a GBV_ILN_4012
912			\|a GBV_ILN_4035
912			\|a GBV_ILN_4037
912			\|a GBV_ILN_4046
912			\|a GBV_ILN_4112
912			\|a GBV_ILN_4125
912			\|a GBV_ILN_4126
912			\|a GBV_ILN_4242
912			\|a GBV_ILN_4246
912			\|a GBV_ILN_4249
912			\|a GBV_ILN_4251
912			\|a GBV_ILN_4305
912			\|a GBV_ILN_4306
912			\|a GBV_ILN_4307
912			\|a GBV_ILN_4313
912			\|a GBV_ILN_4322
912			\|a GBV_ILN_4323
912			\|a GBV_ILN_4324
912			\|a GBV_ILN_4325
912			\|a GBV_ILN_4326
912			\|a GBV_ILN_4328
912			\|a GBV_ILN_4333
912			\|a GBV_ILN_4334
912			\|a GBV_ILN_4335
912			\|a GBV_ILN_4338
912			\|a GBV_ILN_4367
912			\|a GBV_ILN_4393
912			\|a GBV_ILN_4700
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Indexfelder

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matchkey_str	article:18791123:2010----::nrrdpcrsoynsrcueomnaeeab
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publishDate	2010
allfields	10.1016/j.jasms.2010.01.022 doi (DE-627)SPR031502660 (SPR)j.jasms.2010.01.022-e DE-627 ger DE-627 rakwb eng Reed, Zach D. verfasserin aut Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9) 2010 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © American Society for Mass Spectrometry 2010 Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. Spin State (dpeaa)DE-He213 Density Functional Calculation (dpeaa)DE-He213 Singlet Ground State (dpeaa)DE-He213 Metal Carbonyl (dpeaa)DE-He213 Carbonyl Complex (dpeaa)DE-He213 Duncan, Michael A. aut Enthalten in Journal of the American Society for Mass Spectrometry Washington, DC : ACS Publications, 1990 21(2010), 5 vom: 28. Jan., Seite 739-749 (DE-627)320598799 (DE-600)2019911-9 1879-1123 nnns volume:21 year:2010 number:5 day:28 month:01 pages:739-749 https://dx.doi.org/10.1016/j.jasms.2010.01.022 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 21 2010 5 28 01 739-749
spelling	10.1016/j.jasms.2010.01.022 doi (DE-627)SPR031502660 (SPR)j.jasms.2010.01.022-e DE-627 ger DE-627 rakwb eng Reed, Zach D. verfasserin aut Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9) 2010 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © American Society for Mass Spectrometry 2010 Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. Spin State (dpeaa)DE-He213 Density Functional Calculation (dpeaa)DE-He213 Singlet Ground State (dpeaa)DE-He213 Metal Carbonyl (dpeaa)DE-He213 Carbonyl Complex (dpeaa)DE-He213 Duncan, Michael A. aut Enthalten in Journal of the American Society for Mass Spectrometry Washington, DC : ACS Publications, 1990 21(2010), 5 vom: 28. Jan., Seite 739-749 (DE-627)320598799 (DE-600)2019911-9 1879-1123 nnns volume:21 year:2010 number:5 day:28 month:01 pages:739-749 https://dx.doi.org/10.1016/j.jasms.2010.01.022 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 21 2010 5 28 01 739-749
allfields_unstemmed	10.1016/j.jasms.2010.01.022 doi (DE-627)SPR031502660 (SPR)j.jasms.2010.01.022-e DE-627 ger DE-627 rakwb eng Reed, Zach D. verfasserin aut Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9) 2010 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © American Society for Mass Spectrometry 2010 Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. Spin State (dpeaa)DE-He213 Density Functional Calculation (dpeaa)DE-He213 Singlet Ground State (dpeaa)DE-He213 Metal Carbonyl (dpeaa)DE-He213 Carbonyl Complex (dpeaa)DE-He213 Duncan, Michael A. aut Enthalten in Journal of the American Society for Mass Spectrometry Washington, DC : ACS Publications, 1990 21(2010), 5 vom: 28. Jan., Seite 739-749 (DE-627)320598799 (DE-600)2019911-9 1879-1123 nnns volume:21 year:2010 number:5 day:28 month:01 pages:739-749 https://dx.doi.org/10.1016/j.jasms.2010.01.022 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 21 2010 5 28 01 739-749
allfieldsGer	10.1016/j.jasms.2010.01.022 doi (DE-627)SPR031502660 (SPR)j.jasms.2010.01.022-e DE-627 ger DE-627 rakwb eng Reed, Zach D. verfasserin aut Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9) 2010 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © American Society for Mass Spectrometry 2010 Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. Spin State (dpeaa)DE-He213 Density Functional Calculation (dpeaa)DE-He213 Singlet Ground State (dpeaa)DE-He213 Metal Carbonyl (dpeaa)DE-He213 Carbonyl Complex (dpeaa)DE-He213 Duncan, Michael A. aut Enthalten in Journal of the American Society for Mass Spectrometry Washington, DC : ACS Publications, 1990 21(2010), 5 vom: 28. Jan., Seite 739-749 (DE-627)320598799 (DE-600)2019911-9 1879-1123 nnns volume:21 year:2010 number:5 day:28 month:01 pages:739-749 https://dx.doi.org/10.1016/j.jasms.2010.01.022 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 21 2010 5 28 01 739-749
allfieldsSound	10.1016/j.jasms.2010.01.022 doi (DE-627)SPR031502660 (SPR)j.jasms.2010.01.022-e DE-627 ger DE-627 rakwb eng Reed, Zach D. verfasserin aut Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9) 2010 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © American Society for Mass Spectrometry 2010 Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. Spin State (dpeaa)DE-He213 Density Functional Calculation (dpeaa)DE-He213 Singlet Ground State (dpeaa)DE-He213 Metal Carbonyl (dpeaa)DE-He213 Carbonyl Complex (dpeaa)DE-He213 Duncan, Michael A. aut Enthalten in Journal of the American Society for Mass Spectrometry Washington, DC : ACS Publications, 1990 21(2010), 5 vom: 28. Jan., Seite 739-749 (DE-627)320598799 (DE-600)2019911-9 1879-1123 nnns volume:21 year:2010 number:5 day:28 month:01 pages:739-749 https://dx.doi.org/10.1016/j.jasms.2010.01.022 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2106 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 21 2010 5 28 01 739-749
language	English
source	Enthalten in Journal of the American Society for Mass Spectrometry 21(2010), 5 vom: 28. Jan., Seite 739-749 volume:21 year:2010 number:5 day:28 month:01 pages:739-749
sourceStr	Enthalten in Journal of the American Society for Mass Spectrometry 21(2010), 5 vom: 28. Jan., Seite 739-749 volume:21 year:2010 number:5 day:28 month:01 pages:739-749
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Spin State Density Functional Calculation Singlet Ground State Metal Carbonyl Carbonyl Complex
isfreeaccess_bool	false
container_title	Journal of the American Society for Mass Spectrometry
authorswithroles_txt_mv	Reed, Zach D. @@aut@@ Duncan, Michael A. @@aut@@
publishDateDaySort_date	2010-01-28T00:00:00Z
hierarchy_top_id	320598799
id	SPR031502660
language_de	englisch
fullrecord	<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">SPR031502660</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230331083445.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">201007s2010 xx \|\|\|\|\|o 00\| \|\|eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.jasms.2010.01.022</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)SPR031502660</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(SPR)j.jasms.2010.01.022-e</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Reed, Zach D.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2010</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© American Society for Mass Spectrometry 2010</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Spin State</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Density Functional Calculation</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Singlet Ground State</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Metal Carbonyl</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Carbonyl Complex</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Duncan, Michael A.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Journal of the American Society for Mass Spectrometry</subfield><subfield code="d">Washington, DC : ACS Publications, 1990</subfield><subfield code="g">21(2010), 5 vom: 28. 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author	Reed, Zach D.
spellingShingle	Reed, Zach D. misc Spin State misc Density Functional Calculation misc Singlet Ground State misc Metal Carbonyl misc Carbonyl Complex Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)
authorStr	Reed, Zach D.
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topic_title	Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9) Spin State (dpeaa)DE-He213 Density Functional Calculation (dpeaa)DE-He213 Singlet Ground State (dpeaa)DE-He213 Metal Carbonyl (dpeaa)DE-He213 Carbonyl Complex (dpeaa)DE-He213
topic	misc Spin State misc Density Functional Calculation misc Singlet Ground State misc Metal Carbonyl misc Carbonyl Complex
topic_unstemmed	misc Spin State misc Density Functional Calculation misc Singlet Ground State misc Metal Carbonyl misc Carbonyl Complex
topic_browse	misc Spin State misc Density Functional Calculation misc Singlet Ground State misc Metal Carbonyl misc Carbonyl Complex
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title	Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)
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title_full	Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)
author_sort	Reed, Zach D.
journal	Journal of the American Society for Mass Spectrometry
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author_browse	Reed, Zach D. Duncan, Michael A.
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doi_str_mv	10.1016/j.jasms.2010.01.022
title_sort	infrared spectroscopy and structures of manganese carbonyl cations, mn(co)n+ (n = 1−9)
title_auth	Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)
abstract	Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. © American Society for Mass Spectrometry 2010
abstractGer	Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. © American Society for Mass Spectrometry 2010
abstract_unstemmed	Abstract Manganese carbonyl cations of the form Mn(CO)n+ (n = 1−9) are produced in a molecular beam by laser vaporization in a pulsed nozzle source. Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. Mn(CO)5+ and Mn(CO)6+ are both singlets, as are all larger complexes. © American Society for Mass Spectrometry 2010
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title_short	Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)
url	https://dx.doi.org/10.1016/j.jasms.2010.01.022
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author2	Duncan, Michael A.
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doi_str	10.1016/j.jasms.2010.01.022
up_date	2024-07-04T00:01:40.478Z
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Mass selected infrared photodissociation spectroscopy in the carbonyl stretching region is used to study these complexes and their “argon-tagged” analogues. The geometries and electronic states of these complexes are determined by comparing their infrared spectra to theoretical predictions. Mn(CO)6+ has a completed coordination sphere, consistent with its predicted 18-electron stability. It has an octahedral structure in its singlet ground state, similar to its isoelectronic analogue Cr(CO)6. Charge-induced reduction in π back-bonding leads to a decreased red-shift in Mn(CO)6+ ($ υ_{CO} $ = 2106 $ cm^{−1} $) compared with Cr(CO)6 ($ υ_{CO} $ = 2003 $ cm^{−1} $). The spin multiplicity of $ Mn^{+} $(CO)n complexes gradually decreases with progressive ligand addition. $ MnCO^{+} $ is observed as both a quintet and a septet, Mn(CO)2+ is observed only as a quintet, while Mn(CO)3,4+ are both observed as triplets. 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Infrared spectroscopy and structures of manganese carbonyl cations, Mn(CO)n+ (n = 1−9)

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