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The electronic structure and second-order nonlinear optical properties of donor-acceptor acetylenes - A detailed investigation of structure-property relationshipsA series of donor-acceptor acetylene compounds was synthesized in which systematic changes in both the conjugation length and the donor-acceptor strength were made. The effect of these structural changes on the spectroscopic and electronic properties of the molecules and, ultimately, on the measured second-order molecular hyperpolarizabilities (beta) was investigated. It was found that increases in the donor-acceptor strength resulted in increases in the magnitude of beta. For this class of molecules, the increase is dominated by the energy of the intramolecular charge-transfer transition, while factors such as the ground to excited-state dipole moment change and the transition-moment integral are much less important. Increasing the conjugation length from one to two acetylene linkers did not result in an increase in the value of beta; however, beta increased sharply in going from two acetylenes to three. This increase is attributed to the superposition of several nearly isoenergetic excited states.
Document ID
19920037307
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Stiegman, A. E.
(Jet Propulsion Lab., California Inst. of Tech. Pasadena, CA, United States)
Graham, Eva
(Jet Propulsion Lab., California Inst. of Tech. Pasadena, CA, United States)
Khundkar, Lutfur R.
(Jet Propulsion Lab., California Inst. of Tech. Pasadena, CA, United States)
Perry, Joseph W.
(JPL Pasadena, CA, United States)
Cheng, L.-T.
(Du Pont de Nemours and Co., Experimental Station, Wilmington DE, United States)
Perry, Kelly J.
(Jet Propulsion Lab., California Inst. of Tech. Pasadena, CA, United States)
Date Acquired
August 15, 2013
Publication Date
January 1, 1991
Publication Information
Publication: American Chemical Society, Journal
Volume: 113
Issue: 20, 1
ISSN: 0002-7863
Subject Category
Chemistry And Materials (General)
Accession Number
92A19931
Distribution Limits
Public
Copyright
Other

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