Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The structures and electronic absorption spectra of substituted phenyldiacetylenes : Experimental and theoretical studies. / Baranovski, V. I.; Pisarevskaya, E. N.; Vinogradova, O. V.; Sverdlova, O. V.; Balova, I. A.
в: Russian Chemical Bulletin, Том 56, № 10, 10.2007, стр. 2014-2020.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - The structures and electronic absorption spectra of substituted phenyldiacetylenes
T2 - Experimental and theoretical studies
AU - Baranovski, V. I.
AU - Pisarevskaya, E. N.
AU - Vinogradova, O. V.
AU - Sverdlova, O. V.
AU - Balova, I. A.
PY - 2007/10
Y1 - 2007/10
N2 - The results of experimental and theoretical investigation of the electronic absorption spectra of substituted phenyldiacethylenes are presented. The bands in the experimental spectra were assigned in detail using quantum chemical calculations of the electronic structures and spectra of the molecules. The influence of the interaction of the substituents on the spectral parameters of the systems under study was analyzed.
AB - The results of experimental and theoretical investigation of the electronic absorption spectra of substituted phenyldiacethylenes are presented. The bands in the experimental spectra were assigned in detail using quantum chemical calculations of the electronic structures and spectra of the molecules. The influence of the interaction of the substituents on the spectral parameters of the systems under study was analyzed.
KW - Density functional theory
KW - Electronic absorption spectra
KW - Polarized continuum model
KW - Quantum chemical calculations
KW - Self-consistent reactive field method
KW - Solvents
UR - http://www.scopus.com/inward/record.url?scp=41049114345&partnerID=8YFLogxK
U2 - 10.1007/s11172-007-0314-7
DO - 10.1007/s11172-007-0314-7
M3 - Article
AN - SCOPUS:41049114345
VL - 56
SP - 2014
EP - 2020
JO - Russian Chemical Bulletin
JF - Russian Chemical Bulletin
SN - 1066-5285
IS - 10
ER -
ID: 96687270