NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
Nonlinear susceptibilities of finite conjugated organic polymersTight-binding calculations of the length dependence of the third-order molecular hyperpolarizability for polyenes and polyynes are reported. The pi-electron wave functions were determined by exploiting the limited translational symmetry of the molecules. Perturbation theory was used to calculate the longitudinal component of the electronic nonresonant hyperpolarizability. This is the first two-'band' calculation of third-order hyperpolarizabilities on finite pi-electron systems of varying length. In contrast to the results of the one-'band' models, the hyperpolarizability densities increase rapidly and then, after about 10-15 repeating units, approach an asymptotic value.
Document ID
19880033088
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Beratan, David N.
(Jet Propulsion Lab., California Inst. of Tech. Pasadena, CA, United States)
Onuchic, Jose Nelson
(Jet Propulsion Lab., California Inst. of Tech. Pasadena, CA, United States)
Perry, Joseph W.
(California Institute of Technology Jet Propulsion Laboratory, Pasadena, United States)
Date Acquired
August 13, 2013
Publication Date
January 1, 1987
Publication Information
Publication: Journal of Physical Chemistry
Volume: 91
ISSN: 0022-3654
Subject Category
Chemistry And Materials (General)
Accession Number
88A20315
Distribution Limits
Public
Copyright
Other

Available Downloads

There are no available downloads for this record.
No Preview Available