Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins
Journal Article
·
· Journal Porphyrins Phthalocyanines
OSTI ID:14829
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.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 14829
- Report Number(s):
- SAND99-2951J; TRN: AH200130%%38
- Journal Information:
- Journal Porphyrins Phthalocyanines, Other Information: Submitted to Journal Porphyrins Phthalocyanines; PBD: 9 Nov 1999
- Country of Publication:
- United States
- Language:
- English
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