Electron transfer compatible molecular design of benzothiophene-acetophenone bichromophores - A theoretical approach

Authors
De, AK Ganguly, T
Citation
Ak. De et T. Ganguly, Electron transfer compatible molecular design of benzothiophene-acetophenone bichromophores - A theoretical approach, SPECT ACT A, 57(3), 2001, pp. 545-549
Citations number
24
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN journal
13861425 → ACNP
Volume
57
Issue
3
Year of publication
2001
Pages
545 - 549
Database
ISI
SICI code
1386-1425(20010301)57:3<545:ETCMDO>2.0.ZU;2-G
Abstract
Computational work has been done for a bichromophore (4MBA) comprising a do nor 4-methoxy-benzo[b]thiophene (4MBT) and an acceptor molecule p-chloro-ac etophenone (pc1A) linked together by a HC=CH bond which shows large hyperpo larizability. The charge transfer in this bichromophoric system is computed by semiemperical theoretical calculation. Ground state and excited state d ipole moment difference of the bichromophore 4MBA indicates a large electro n transfer probability. (C) 2001 Elsevier Science B.V. All rights reserved.