On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character
The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was,...
Ausführliche Beschreibung
Autor*in: |
Stefano Borocci [verfasserIn] Felice Grandinetti [verfasserIn] Nico Sanna [verfasserIn] |
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E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2021 |
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Übergeordnetes Werk: |
In: Molecules - MDPI AG, 2003, 26(2021), 5, p 1305 |
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Übergeordnetes Werk: |
volume:26 ; year:2021 ; number:5, p 1305 |
Links: |
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DOI / URN: |
10.3390/molecules26051305 |
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Katalog-ID: |
DOAJ04815010X |
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10.3390/molecules26051305 doi (DE-627)DOAJ04815010X (DE-599)DOAJ7a2151ab4d434a1ca60f162a2d8f7b3b DE-627 ger DE-627 rakwb eng QD241-441 Stefano Borocci verfasserin aut On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. bonding analysis chemical bond noble-gas chemistry noble-gas ions structure and stability Organic chemistry Felice Grandinetti verfasserin aut Nico Sanna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 5, p 1305 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:5, p 1305 https://doi.org/10.3390/molecules26051305 kostenfrei https://doaj.org/article/7a2151ab4d434a1ca60f162a2d8f7b3b kostenfrei https://www.mdpi.com/1420-3049/26/5/1305 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 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_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 5, p 1305 |
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10.3390/molecules26051305 doi (DE-627)DOAJ04815010X (DE-599)DOAJ7a2151ab4d434a1ca60f162a2d8f7b3b DE-627 ger DE-627 rakwb eng QD241-441 Stefano Borocci verfasserin aut On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. bonding analysis chemical bond noble-gas chemistry noble-gas ions structure and stability Organic chemistry Felice Grandinetti verfasserin aut Nico Sanna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 5, p 1305 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:5, p 1305 https://doi.org/10.3390/molecules26051305 kostenfrei https://doaj.org/article/7a2151ab4d434a1ca60f162a2d8f7b3b kostenfrei https://www.mdpi.com/1420-3049/26/5/1305 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 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_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 5, p 1305 |
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10.3390/molecules26051305 doi (DE-627)DOAJ04815010X (DE-599)DOAJ7a2151ab4d434a1ca60f162a2d8f7b3b DE-627 ger DE-627 rakwb eng QD241-441 Stefano Borocci verfasserin aut On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. bonding analysis chemical bond noble-gas chemistry noble-gas ions structure and stability Organic chemistry Felice Grandinetti verfasserin aut Nico Sanna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 5, p 1305 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:5, p 1305 https://doi.org/10.3390/molecules26051305 kostenfrei https://doaj.org/article/7a2151ab4d434a1ca60f162a2d8f7b3b kostenfrei https://www.mdpi.com/1420-3049/26/5/1305 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 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_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 5, p 1305 |
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10.3390/molecules26051305 doi (DE-627)DOAJ04815010X (DE-599)DOAJ7a2151ab4d434a1ca60f162a2d8f7b3b DE-627 ger DE-627 rakwb eng QD241-441 Stefano Borocci verfasserin aut On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. bonding analysis chemical bond noble-gas chemistry noble-gas ions structure and stability Organic chemistry Felice Grandinetti verfasserin aut Nico Sanna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 5, p 1305 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:5, p 1305 https://doi.org/10.3390/molecules26051305 kostenfrei https://doaj.org/article/7a2151ab4d434a1ca60f162a2d8f7b3b kostenfrei https://www.mdpi.com/1420-3049/26/5/1305 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 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_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 5, p 1305 |
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QD241-441 On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character bonding analysis chemical bond noble-gas chemistry noble-gas ions structure and stability |
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On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character |
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On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character |
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on the proton-bound noble gas dimers (ng-h-ng)<sup<+</sup< and (ng-h-ng’)<sup<+</sup< (ng, ng’ = he-xe): relationships between structure, stability, and bonding character |
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On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character |
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The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. |
abstractGer |
The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. |
abstract_unstemmed |
The structure, stability, and bonding character of fifteen (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng’. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup<. The Ng-H and Ng’-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond. |
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On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)<sup<+</sup< and (Ng-H-Ng’)<sup<+</sup< (Ng, Ng’ = He-Xe): Relationships between Structure, Stability, and Bonding Character |
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https://doi.org/10.3390/molecules26051305 https://doaj.org/article/7a2151ab4d434a1ca60f162a2d8f7b3b https://www.mdpi.com/1420-3049/26/5/1305 https://doaj.org/toc/1420-3049 |
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