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Publikācija: Quantification of Push-Pull Character of Azo Dyes and a Basis for Their Evaluation as Potential Nonlinear Optical Materials

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Nosaukums oriģinālvalodā Quantification of Push-Pull Character of Azo Dyes and a Basis for Their Evaluation as Potential Nonlinear Optical Materials
Pētniecības nozare 1. Dabaszinātnes
Pētniecības apakšnozare 1.4. Ķīmija
Autori E. Kleinpeter
U. Bolke
Jana Kreicberga
Atslēgas vārdi Push–pull character; Isophorone chromophore; Molecular hyperpolarizability; NLO application; 13C NMR spectroscopy
Anotācija 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 Cdouble bond; length as m-dashC double bonds and the quotient of the occupations of both the bonding and anti-bonding orbitals of these Cdouble bond; length as m-dashC double bonds as well. The correlations of the two push–pull quantifying parameters, and to the corresponding bond lengths, strongly recommend View the MathML sourceπCC∗/πCdouble bond; length as m-dashC 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.
DOI: 10.1016/j.tetlet.2007.12.107
Hipersaite: http://www.sciencedirect.com/science/article/pii/S0040403907025877 
Atsauce Kleinpeter, E., Bolke, U., Kreicberga, J. Quantification of Push-Pull Character of Azo Dyes and a Basis for Their Evaluation as Potential Nonlinear Optical Materials. Tetrahedron, 2010, Vol.49, Iss.8, 4503.-4509.lpp. ISSN 0040-4039. Pieejams: doi:10.1016/j.tetlet.2007.12.107
ID 9102