Actions for Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins [electronic resource].

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Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins [electronic resource].

Published
Washington, D.C. : United States. Dept. of Energy, 1999.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description
42 pages : digital, PDF file
Additional Creators
Sandia National Laboratories, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
The connection is made between the normal-coordinate structural decomposition (NSD) and the vibronic molecular states and spectra of porphyrins. NSD is a procedure that provides a description of the distortion of a porphyrin from a D{sub 4h} symmetric reference structure in terms of equivalent displacements along the normal coordinates. Expressions for the optical absorption spectra with vibrational structure are developed with these NSD-determined deformations as parameters, and the expressions are applied to the UV-visible absorption spectra porphyrins.
Report Numbers
E 1.99:sand99-2951j
sand99-2951j
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Note
Published through SciTech Connect.
11/09/1999.
"sand99-2951j"
Journal Porphyrins Phthalocyanines FT
SHELNUTT,JOHN A.
Funding Information
AC04-94AL85000
View MARC record | catkey: 14449301