Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle
Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Panina, N. S. [verfasserIn] Eremin, A. V. [verfasserIn] Belyaev, A. N. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2015 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Russian journal of general chemistry - Dordrecht : Springer Science + Business Media B.V., 1996, 85(2015), 7 vom: Juli, Seite 1655-1660 |
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| Übergeordnetes Werk: |
volume:85 ; year:2015 ; number:7 ; month:07 ; pages:1655-1660 |
| Links: |
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| DOI / URN: |
10.1134/S1070363215070142 |
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| Katalog-ID: |
SPR017433967 |
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| 520 | |a Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. | ||
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| 650 | 4 | |a thiols |7 (dpeaa)DE-He213 | |
| 700 | 1 | |a Eremin, A. V. |e verfasserin |4 aut | |
| 700 | 1 | |a Belyaev, A. N. |e verfasserin |4 aut | |
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10.1134/S1070363215070142 doi (DE-627)SPR017433967 (SPR)S1070363215070142-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Panina, N. S. verfasserin aut Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. catalysis (dpeaa)DE-He213 coordination compounds (dpeaa)DE-He213 reaction mechanisms (dpeaa)DE-He213 thiols (dpeaa)DE-He213 Eremin, A. V. verfasserin aut Belyaev, A. N. verfasserin aut Enthalten in Russian journal of general chemistry Dordrecht : Springer Science + Business Media B.V., 1996 85(2015), 7 vom: Juli, Seite 1655-1660 (DE-627)340146834 (DE-600)2065665-8 1608-3350 nnns volume:85 year:2015 number:7 month:07 pages:1655-1660 https://dx.doi.org/10.1134/S1070363215070142 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 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_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 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_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 85 2015 7 07 1655-1660 |
| spelling |
10.1134/S1070363215070142 doi (DE-627)SPR017433967 (SPR)S1070363215070142-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Panina, N. S. verfasserin aut Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. catalysis (dpeaa)DE-He213 coordination compounds (dpeaa)DE-He213 reaction mechanisms (dpeaa)DE-He213 thiols (dpeaa)DE-He213 Eremin, A. V. verfasserin aut Belyaev, A. N. verfasserin aut Enthalten in Russian journal of general chemistry Dordrecht : Springer Science + Business Media B.V., 1996 85(2015), 7 vom: Juli, Seite 1655-1660 (DE-627)340146834 (DE-600)2065665-8 1608-3350 nnns volume:85 year:2015 number:7 month:07 pages:1655-1660 https://dx.doi.org/10.1134/S1070363215070142 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 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_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 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_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 85 2015 7 07 1655-1660 |
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10.1134/S1070363215070142 doi (DE-627)SPR017433967 (SPR)S1070363215070142-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Panina, N. S. verfasserin aut Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. catalysis (dpeaa)DE-He213 coordination compounds (dpeaa)DE-He213 reaction mechanisms (dpeaa)DE-He213 thiols (dpeaa)DE-He213 Eremin, A. V. verfasserin aut Belyaev, A. N. verfasserin aut Enthalten in Russian journal of general chemistry Dordrecht : Springer Science + Business Media B.V., 1996 85(2015), 7 vom: Juli, Seite 1655-1660 (DE-627)340146834 (DE-600)2065665-8 1608-3350 nnns volume:85 year:2015 number:7 month:07 pages:1655-1660 https://dx.doi.org/10.1134/S1070363215070142 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 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_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 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_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 85 2015 7 07 1655-1660 |
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10.1134/S1070363215070142 doi (DE-627)SPR017433967 (SPR)S1070363215070142-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Panina, N. S. verfasserin aut Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. catalysis (dpeaa)DE-He213 coordination compounds (dpeaa)DE-He213 reaction mechanisms (dpeaa)DE-He213 thiols (dpeaa)DE-He213 Eremin, A. V. verfasserin aut Belyaev, A. N. verfasserin aut Enthalten in Russian journal of general chemistry Dordrecht : Springer Science + Business Media B.V., 1996 85(2015), 7 vom: Juli, Seite 1655-1660 (DE-627)340146834 (DE-600)2065665-8 1608-3350 nnns volume:85 year:2015 number:7 month:07 pages:1655-1660 https://dx.doi.org/10.1134/S1070363215070142 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 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_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 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_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 85 2015 7 07 1655-1660 |
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10.1134/S1070363215070142 doi (DE-627)SPR017433967 (SPR)S1070363215070142-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Panina, N. S. verfasserin aut Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. catalysis (dpeaa)DE-He213 coordination compounds (dpeaa)DE-He213 reaction mechanisms (dpeaa)DE-He213 thiols (dpeaa)DE-He213 Eremin, A. V. verfasserin aut Belyaev, A. N. verfasserin aut Enthalten in Russian journal of general chemistry Dordrecht : Springer Science + Business Media B.V., 1996 85(2015), 7 vom: Juli, Seite 1655-1660 (DE-627)340146834 (DE-600)2065665-8 1608-3350 nnns volume:85 year:2015 number:7 month:07 pages:1655-1660 https://dx.doi.org/10.1134/S1070363215070142 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 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_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 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_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 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_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 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_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 85 2015 7 07 1655-1660 |
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Panina, N. S. @@aut@@ Eremin, A. V. @@aut@@ Belyaev, A. N. @@aut@@ |
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Panina, N. S. |
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Panina, N. S. ddc 540 bkl 35.00 misc catalysis misc coordination compounds misc reaction mechanisms misc thiols Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle |
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540 ASE 35.00 bkl Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle catalysis (dpeaa)DE-He213 coordination compounds (dpeaa)DE-He213 reaction mechanisms (dpeaa)DE-He213 thiols (dpeaa)DE-He213 |
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ddc 540 bkl 35.00 misc catalysis misc coordination compounds misc reaction mechanisms misc thiols |
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ddc 540 bkl 35.00 misc catalysis misc coordination compounds misc reaction mechanisms misc thiols |
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Elektronische Aufsätze Aufsätze Elektronische Ressource |
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Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle |
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Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle |
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Panina, N. S. |
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Russian journal of general chemistry |
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Panina, N. S. Eremin, A. V. Belyaev, A. N. |
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Panina, N. S. |
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effect of metal nature (ni, pd, pt) on the catalytic oxidation of aliphatic thiols: quantum-chemical dft modeling of separate steps of the catalytic cycle |
| title_auth |
Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle |
| abstract |
Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. |
| abstractGer |
Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. |
| abstract_unstemmed |
Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. The obtained results open prospects for the search of effective catalysts of the oxidation of glutathione not only among binuclear coordination palladium compounds, but also among those of nickel and platinum. |
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Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle |
| url |
https://dx.doi.org/10.1134/S1070363215070142 |
| remote_bool |
true |
| author2 |
Eremin, A. V. Belyaev, A. N. |
| author2Str |
Eremin, A. V. Belyaev, A. N. |
| ppnlink |
340146834 |
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c |
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false |
| hochschulschrift_bool |
false |
| doi_str |
10.1134/S1070363215070142 |
| up_date |
2024-07-04T03:21:09.031Z |
| _version_ |
1803617062398984192 |
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S.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Effect of metal nature (Ni, Pd, Pt) on the catalytic oxidation of aliphatic thiols: Quantum-chemical DFT modeling of separate steps of the catalytic cycle</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2015</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="520" ind1=" " ind2=" "><subfield code="a">Abstract Quantum-chemical DFT modeling of the reagents and products of selective oxidation of aliphatic thiols RSH to disulfides RSSR' with participation of coordination compounds of Ni, Pd, and Pt was performed. For Ni(II) ions, structures of different multiplicity were analyzed. The revealed differences in energy effects of the separate studies of the catalytic cycle for Ni, Pd, and Pt ions comply with the notions of hard and soft acids and bases. 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