TY  - JOUR
A1  - Kleinpeter, Erich
A1  - Koch, Andreas
A1  - Mikhova, Bozhana
A1  - Stamboliyska, Bistra A.
A1  - Kolev, Tsonko M.
T1  - Quantification of the push-pull character of the isophorone chromophore as a measure of molecular hyperpolarizability for NLO applications
N2  - The push-pull character of a series of para-phenyl substituted isophorone chromophores has been quantified by the 13C chemical shift difference of the three conjugated partial C=C double bonds and the quotient of the occupations of both the bonding and anti-bonding orbitals of these C=C double bonds as well. The correlations of the two push-pull quantifying parameters, and to the corresponding bond lengths, strongly recommend ;*c=c/ ;c=c as the general parameter to estimate charge alternation and as a very useful indication of the molecular hyperpolarizabilities for NLO application of the compounds studied.
Y1  - 2008
UR  - http://www.sciencedirect.com/science/article/pii/S0040403907025877
U6  - https://doi.org/10.1016/j.tetlet.2007.12.107
SN  - 0040-4039
ER  -