Theoretical study of solvent effects on the conformational equilibrium and electronic spectra of 2,2′-bipyridine derivatives

2007 ◽  
Vol 811 (1-3) ◽  
pp. 169-174 ◽  
Author(s):  
Catherine Blanchet-Boiteux ◽  
Pascale Friant-Michel ◽  
Alain Marsura ◽  
Jean-Bernard Regnouf-de-Vains ◽  
Manuel F. Ruiz-López
Keyword(s):  
Solvent Effects ◽  
Electronic Spectra ◽  
Conformational Equilibrium ◽  
Theoretical Study

A contribution to evaluation of influence of medium in electronic and infrared spectroscopy

1982 ◽  
Vol 47 (4) ◽  
pp. 1060-1068 ◽  
Author(s):  
Vojtěch Bekárek ◽  
Jan Juřina
Keyword(s):  
Refractive Index ◽  
Infrared Spectroscopy ◽  
Correlation Coefficient ◽  
Solvent Effects ◽  
Electronic Spectra ◽  
Relative Permittivity ◽  
Solvent Parameters

Dependence of ET(30) of solvent parameters on relative permittivity (ε) and refractive index (n) of solvent has been found for forty solvents in the form ET(30)=29.87 + 72.03 (ε - 1/(2ε + 1)-29.16(ε - 1) (n 2 - 1)/(2ε + 1) (2n2 + 1), the correlation coefficient being 0.958. Relation has been discussed between ET(30) and π solvent parameters and significance of the term (ε - 1). (n2 - 1)/(2ε + 1) (2n2 + 1) has been tested for evaluation of solvent effects in electronic spectra.>

Theoretical study of solvent effects on the decomposition of formic acid over a Co(111) surface

2017 ◽  
Vol 42 (39) ◽  
pp. 24726-24736 ◽  
Author(s):  
Xinbao Li ◽  
Yingying Zhu ◽  
Geng Chen ◽  
Guohua Yang ◽  
Zan Wu ◽  
...  
Keyword(s):  
Formic Acid ◽  
Solvent Effects ◽  
Theoretical Study

A theoretical study of the electronic spectra of some N-substitued-1,8-naphthalimide.

1988 ◽  
Vol 166 ◽  
pp. 463-468 ◽  
Author(s):  
A. Pardo ◽  
J. Campanario ◽  
J.M.L. Poyato ◽  
J.J. Camacho ◽  
D. Reyman ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
Theoretical Study

Solvent effects on the geometry, electronic structure, and bonding style of Zn(N 5 ) 2 : A theoretical study

2019 ◽  
Vol 67 (2) ◽  
pp. 235-241 ◽  
Author(s):  
Zhiyuan Ding ◽  
Pin Gao ◽  
Ming Lu ◽  
Guixiang Wang ◽  
Xuedong Gong
Keyword(s):  
Electronic Structure ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Structure And Bonding
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