THE FREQUENCY-DEPENDENT NONLINEAR-OPTICAL PROPERTIES OF THIOPHENE-NITRO, FURAN-NITRO, PYRROLE-NITRO POLYENE SYSTEMS

Authors
CHOI US PARK CB KIM TW
Citation
Us. Choi et al., THE FREQUENCY-DEPENDENT NONLINEAR-OPTICAL PROPERTIES OF THIOPHENE-NITRO, FURAN-NITRO, PYRROLE-NITRO POLYENE SYSTEMS, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 294, 1997, pp. 275-278
Citations number
12
Categorie Soggetti
Crystallography
Journal title
Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals → ACNP
ISSN journal
1058725X
Volume
294
Year of publication
1997
Pages
275 - 278
Database
ISI
SICI code
1058-725X(1997)294:<275:TFNPOT>2.0.ZU;2-A
Abstract
By using the semiempirical time-dependent Hartree-Fock PM3 calculation s we have studied the frequency-dependent second- and third-order pola rizabilities of thiophene-, pyrrole-nitro polyene systems. The PM3 pre dicted limiting average second-order polarizabilities increase in the order: pyrrole-> furan-> thiophene-nitro polyene systems. The average and longitudinal third-order polarizabilties have the following order: pyrrole->thiophene->furan-nitro polyene systems. In these trends. we suggest that pyrrole group is the best donor group among the three pol yene systems.