A charge density study of an intramolecular charge-transfer quinoid compound with strong NLO properties

Authors
Gopalan, RS Kulkarni, GU Ravi, M Rao, CNR
Citation
Rs. Gopalan et al., A charge density study of an intramolecular charge-transfer quinoid compound with strong NLO properties, NEW J CHEM, 25(9), 2001, pp. 1108-1110
Citations number
14
Categorie Soggetti
Chemistry
Journal title
NEW JOURNAL OF CHEMISTRY
ISSN journal
11440546 → ACNP
Volume
25
Issue
9
Year of publication
2001
Pages
1108 - 1110
Database
ISI
SICI code
1144-0546(200109)25:9<1108:ACDSOA>2.0.ZU;2-X
Abstract
An experimental charge density investigation of 7,7-di[(S)-(+)-2-(methoxyme thyl)pyrrolidino]-8,8-dicyanoquinodimethane establishes the presence of a l arge charge separation as well as a high in-crystal dipole moment compared to the free molecule in frozen geometry, consistent with the high SHG activ ity of the compound.