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Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation. / Semenov, S.G.; Sigolaev , S.G.

в: Russian Journal of General Chemistry, Том 75, № 11, 2005, стр. 1703-1705.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Semenov, SG & Sigolaev , SG 2005, 'Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation', Russian Journal of General Chemistry, Том. 75, № 11, стр. 1703-1705. https://doi.org/10.1007/s11176-005-0495-4

APA

Semenov, S. G., & Sigolaev , S. G. (2005). Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation. Russian Journal of General Chemistry, 75(11), 1703-1705. https://doi.org/10.1007/s11176-005-0495-4

Vancouver

Semenov SG, Sigolaev SG. Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation. Russian Journal of General Chemistry. 2005;75(11):1703-1705. https://doi.org/10.1007/s11176-005-0495-4

Author

Semenov, S.G. ; Sigolaev , S.G. / Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation. в: Russian Journal of General Chemistry. 2005 ; Том 75, № 11. стр. 1703-1705.

BibTeX

@article{14bb95f8b57d4e098fce2ec89b32d78b,
title = "Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation",
abstract = "Structural parameters of the cation [C(NPCl3)3] + in vacuum and in acetonitrile are calculated by the methods RHF/6-311G(3d6), RHF/6-31(3d5) and B3LYP/6-311(3d 5f7). Formation energy of the free adduct (MeCN) 2[C(NPCl3)3]+ is calculated and nonspecific character of interaction of the cation with liquid acetonitrile is established. Vibration spectrum of the cation is calculated and theoretical interpretation of IR and Raman spectra of the salt [C(NPCl3)3] +[SbCl6]- is refined.",
author = "S.G. Semenov and S.G. Sigolaev",
year = "2005",
doi = "10.1007/s11176-005-0495-4",
language = "English",
volume = "75",
pages = "1703--1705",
journal = "Russian Journal of General Chemistry",
issn = "1070-3632",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "11",

}

RIS

TY - JOUR

T1 - Quantum-chemical investigation of structure and vibration spectrum of [C(NPCl3)3]+ cation

AU - Semenov, S.G.

AU - Sigolaev , S.G.

PY - 2005

Y1 - 2005

N2 - Structural parameters of the cation [C(NPCl3)3] + in vacuum and in acetonitrile are calculated by the methods RHF/6-311G(3d6), RHF/6-31(3d5) and B3LYP/6-311(3d 5f7). Formation energy of the free adduct (MeCN) 2[C(NPCl3)3]+ is calculated and nonspecific character of interaction of the cation with liquid acetonitrile is established. Vibration spectrum of the cation is calculated and theoretical interpretation of IR and Raman spectra of the salt [C(NPCl3)3] +[SbCl6]- is refined.

AB - Structural parameters of the cation [C(NPCl3)3] + in vacuum and in acetonitrile are calculated by the methods RHF/6-311G(3d6), RHF/6-31(3d5) and B3LYP/6-311(3d 5f7). Formation energy of the free adduct (MeCN) 2[C(NPCl3)3]+ is calculated and nonspecific character of interaction of the cation with liquid acetonitrile is established. Vibration spectrum of the cation is calculated and theoretical interpretation of IR and Raman spectra of the salt [C(NPCl3)3] +[SbCl6]- is refined.

UR - http://www.scopus.com/inward/record.url?scp=33747862918&partnerID=8YFLogxK

U2 - 10.1007/s11176-005-0495-4

DO - 10.1007/s11176-005-0495-4

M3 - Article

AN - SCOPUS:33747862918

VL - 75

SP - 1703

EP - 1705

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 11

ER -

ID: 13349815