ISSN:
0040-5744
Keywords:
Key words: Thioesters
;
Dithioesters
;
Charge Transfer
;
Hyperpolarizability
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. The relative nonlinear efficiency of some conjugated ester, thioester and dithioester molecules was investigated by quantum chemical semi-empirical methods. The results of calculations on ground and excited states properties and on “finite-field” hyperpolarizabilities β allowed to select the best compounds for quadratic nonlinear optics. Some of these molecules were synthesized and the theoretical results were confronted with the experimental NLO response obtained by β EFISH measurements. It was concluded from this analysis that the dithioester substituent represents an interesting electron-accepting group for applications in nonlinear optics and can be used instead of the nitro group.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00190153