Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule
Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydroge...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Derikvand, Zohreh [verfasserIn] Zabardasti, Abedien [verfasserIn] Amini, Nasrin [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2014 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Structural chemistry - Dordrecht : Springer Science Business Media B.V., 1990, 26(2014), 1 vom: 12. Aug., Seite 207-211 |
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| Übergeordnetes Werk: |
volume:26 ; year:2014 ; number:1 ; day:12 ; month:08 ; pages:207-211 |
| Links: |
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| DOI / URN: |
10.1007/s11224-014-0487-2 |
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| Katalog-ID: |
SPR01788540X |
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| 245 | 1 | 0 | |a Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule |
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| 520 | |a Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. | ||
| 650 | 4 | |a Hydrogen bond complexes |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a Dihydrogen bond complexes |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a -CB |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a H |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a Carborane |7 (dpeaa)DE-He213 | |
| 700 | 1 | |a Zabardasti, Abedien |e verfasserin |4 aut | |
| 700 | 1 | |a Amini, Nasrin |e verfasserin |4 aut | |
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10.1007/s11224-014-0487-2 doi (DE-627)SPR01788540X (SPR)s11224-014-0487-2-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Derikvand, Zohreh verfasserin aut Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. Hydrogen bond complexes (dpeaa)DE-He213 Dihydrogen bond complexes (dpeaa)DE-He213 -CB (dpeaa)DE-He213 H (dpeaa)DE-He213 Carborane (dpeaa)DE-He213 Zabardasti, Abedien verfasserin aut Amini, Nasrin verfasserin aut Enthalten in Structural chemistry Dordrecht : Springer Science Business Media B.V., 1990 26(2014), 1 vom: 12. Aug., Seite 207-211 (DE-627)31886276X (DE-600)2018832-8 1572-9001 nnns volume:26 year:2014 number:1 day:12 month:08 pages:207-211 https://dx.doi.org/10.1007/s11224-014-0487-2 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_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_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_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 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 26 2014 1 12 08 207-211 |
| spelling |
10.1007/s11224-014-0487-2 doi (DE-627)SPR01788540X (SPR)s11224-014-0487-2-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Derikvand, Zohreh verfasserin aut Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. Hydrogen bond complexes (dpeaa)DE-He213 Dihydrogen bond complexes (dpeaa)DE-He213 -CB (dpeaa)DE-He213 H (dpeaa)DE-He213 Carborane (dpeaa)DE-He213 Zabardasti, Abedien verfasserin aut Amini, Nasrin verfasserin aut Enthalten in Structural chemistry Dordrecht : Springer Science Business Media B.V., 1990 26(2014), 1 vom: 12. Aug., Seite 207-211 (DE-627)31886276X (DE-600)2018832-8 1572-9001 nnns volume:26 year:2014 number:1 day:12 month:08 pages:207-211 https://dx.doi.org/10.1007/s11224-014-0487-2 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_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_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_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 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 26 2014 1 12 08 207-211 |
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10.1007/s11224-014-0487-2 doi (DE-627)SPR01788540X (SPR)s11224-014-0487-2-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Derikvand, Zohreh verfasserin aut Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. Hydrogen bond complexes (dpeaa)DE-He213 Dihydrogen bond complexes (dpeaa)DE-He213 -CB (dpeaa)DE-He213 H (dpeaa)DE-He213 Carborane (dpeaa)DE-He213 Zabardasti, Abedien verfasserin aut Amini, Nasrin verfasserin aut Enthalten in Structural chemistry Dordrecht : Springer Science Business Media B.V., 1990 26(2014), 1 vom: 12. Aug., Seite 207-211 (DE-627)31886276X (DE-600)2018832-8 1572-9001 nnns volume:26 year:2014 number:1 day:12 month:08 pages:207-211 https://dx.doi.org/10.1007/s11224-014-0487-2 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_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_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_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 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 26 2014 1 12 08 207-211 |
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10.1007/s11224-014-0487-2 doi (DE-627)SPR01788540X (SPR)s11224-014-0487-2-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Derikvand, Zohreh verfasserin aut Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. Hydrogen bond complexes (dpeaa)DE-He213 Dihydrogen bond complexes (dpeaa)DE-He213 -CB (dpeaa)DE-He213 H (dpeaa)DE-He213 Carborane (dpeaa)DE-He213 Zabardasti, Abedien verfasserin aut Amini, Nasrin verfasserin aut Enthalten in Structural chemistry Dordrecht : Springer Science Business Media B.V., 1990 26(2014), 1 vom: 12. Aug., Seite 207-211 (DE-627)31886276X (DE-600)2018832-8 1572-9001 nnns volume:26 year:2014 number:1 day:12 month:08 pages:207-211 https://dx.doi.org/10.1007/s11224-014-0487-2 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_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_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_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 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 26 2014 1 12 08 207-211 |
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10.1007/s11224-014-0487-2 doi (DE-627)SPR01788540X (SPR)s11224-014-0487-2-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Derikvand, Zohreh verfasserin aut Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. Hydrogen bond complexes (dpeaa)DE-He213 Dihydrogen bond complexes (dpeaa)DE-He213 -CB (dpeaa)DE-He213 H (dpeaa)DE-He213 Carborane (dpeaa)DE-He213 Zabardasti, Abedien verfasserin aut Amini, Nasrin verfasserin aut Enthalten in Structural chemistry Dordrecht : Springer Science Business Media B.V., 1990 26(2014), 1 vom: 12. Aug., Seite 207-211 (DE-627)31886276X (DE-600)2018832-8 1572-9001 nnns volume:26 year:2014 number:1 day:12 month:08 pages:207-211 https://dx.doi.org/10.1007/s11224-014-0487-2 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_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_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_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 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 26 2014 1 12 08 207-211 |
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English |
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Enthalten in Structural chemistry 26(2014), 1 vom: 12. Aug., Seite 207-211 volume:26 year:2014 number:1 day:12 month:08 pages:207-211 |
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Enthalten in Structural chemistry 26(2014), 1 vom: 12. Aug., Seite 207-211 volume:26 year:2014 number:1 day:12 month:08 pages:207-211 |
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Hydrogen bond complexes Dihydrogen bond complexes -CB H Carborane |
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Structural chemistry |
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Derikvand, Zohreh @@aut@@ Zabardasti, Abedien @@aut@@ Amini, Nasrin @@aut@@ |
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2014-08-12T00:00:00Z |
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| author |
Derikvand, Zohreh |
| spellingShingle |
Derikvand, Zohreh ddc 540 bkl 35.00 misc Hydrogen bond complexes misc Dihydrogen bond complexes misc -CB misc H misc Carborane Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule |
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540 ASE 35.00 bkl Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule Hydrogen bond complexes (dpeaa)DE-He213 Dihydrogen bond complexes (dpeaa)DE-He213 -CB (dpeaa)DE-He213 H (dpeaa)DE-He213 Carborane (dpeaa)DE-He213 |
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ddc 540 bkl 35.00 misc Hydrogen bond complexes misc Dihydrogen bond complexes misc -CB misc H misc Carborane |
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ddc 540 bkl 35.00 misc Hydrogen bond complexes misc Dihydrogen bond complexes misc -CB misc H misc Carborane |
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ddc 540 bkl 35.00 misc Hydrogen bond complexes misc Dihydrogen bond complexes misc -CB misc H misc Carborane |
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Elektronische Aufsätze Aufsätze Elektronische Ressource |
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Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule |
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(DE-627)SPR01788540X (SPR)s11224-014-0487-2-e |
| title_full |
Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule |
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Derikvand, Zohreh |
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Structural chemistry |
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Derikvand, Zohreh Zabardasti, Abedien Amini, Nasrin |
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540 ASE 35.00 bkl |
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Elektronische Aufsätze |
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Derikvand, Zohreh |
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10.1007/s11224-014-0487-2 |
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540 |
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verfasserin |
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theoretical investigation of h···f and h···h intermolecular interactions of nido-$ cb_{4} %$ h_{8} $ with hf molecule |
| title_auth |
Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule |
| abstract |
Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. |
| abstractGer |
Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. |
| abstract_unstemmed |
Abstract Ab initio calculations were applied to analyze the interactions of carborane nido-$ CB_{4} %$ H_{8} $ with HF at MP2/aug-cc-pVDZ computational level. The $ CB_{4} %$ H_{8} $ interacts with HF through both its terminal and bridged hydrogens and resulting to H···F hydrogen and H···H dihydrogen bonds. Also non-classical B–B…HF interactions have been observed in the complex formation of $ CB_{4} %$ H_{8} $ with HF at this level. The obtained complexes have been analyzed with the Atom in Molecules and natural bond orbital methods. |
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1 |
| title_short |
Theoretical investigation of H···F and H···H intermolecular interactions of nido-$ CB_{4} %$ H_{8} $ with HF molecule |
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https://dx.doi.org/10.1007/s11224-014-0487-2 |
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Zabardasti, Abedien Amini, Nasrin |
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Zabardasti, Abedien Amini, Nasrin |
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| doi_str |
10.1007/s11224-014-0487-2 |
| up_date |
2024-07-03T15:51:41.996Z |
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