EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE ELECTRONIC ABSORPTION SPECTRA OF 2-H(METHYL, METHYLTHIO, PHENYL)-3,4-DIHYDRO-4-QUINAZOLINYLIDENECYANOACETIC ESTER
DOI:
https://doi.org/10.1007/8058Keywords:
2-substituted 4-quinazolinylidenecyanoacetic esters, quantum-chemical calculations, UV spectraAbstract
The effect of substituents (Me, SMe, Ph) in position 2 has been studied on the nature of the absorption bands of 2-H-3,4-dihydro-4-quinazolinylidenecyanoacetic esters and a very high sensitivity on the substituent has been detected for the short wave maxima. On the basis of data calculated by the ZINDO/S method the featureless long-wave absorption band was assigned to an electronic transition from HOMO to LUMO caused by charge transfer from fragments of the benzene ring and the N=C–N bond to the >C=C–C=O fragment.How to Cite
Eshimbetov, A. G.; Tulyasheva, M. A.; Kristallovich, E. L.; Abdullaev, N. D.; Shakhidoyatov, Kh. M. Chem. Heterocycl. Compd. 2006, 42, 200. [Khim. Geterotsikl. Soedin. 2006, 227.]
For this article in the English edition, see DOI 10.1007/s10593-006-0072-8