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Static second-order polarizabilities of aminobenzophenones and nitrobenzophenonesStatic-field theoretical studies on molecular second-order polarizabilities (beta) of benzophenone derivatives were performed. Calculations were based on the use of shaped electric fields and semiempirical Hamiltonians. Either an electron-donating (amine) or an electron-withdrawing (nitro) substituent was incorporated into a phenyl ring of benzophenone; the phenyl rings of benzophenone were oriented either coplanar or perpendicular to the carbonyl. The change in charge transfer with respect to the electrophilic character of the carbonyl group was monitored to determine its effect on the molecular second-order polarizability. Calculations were performed for all constitutional isomers of the two benzophenone derivatives.
Document ID
19930060923
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Moore, Craig E.
(NASA Marshall Space Flight Center Huntsville, AL, United States)
Cardelino, Beatriz H.
(Atlanta Univ. GA, United States)
Date Acquired
August 16, 2013
Publication Date
January 1, 1991
Publication Information
Publication: Journal of Molecular Structure
ISSN: 0166-1280
Subject Category
Chemistry And Materials (General)
Accession Number
93A44920
Funding Number(s)
CONTRACT_GRANT: NAG8-094
Distribution Limits
Public
Copyright
Other

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