Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins
Abstract
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.
- Authors:
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Org.:
- US Department of Energy (US)
- OSTI Identifier:
- 14829
- Report Number(s):
- SAND99-2951J
TRN: AH200130%%38
- DOE Contract Number:
- AC04-94AL85000
- Resource Type:
- Journal Article
- Journal Name:
- Journal Porphyrins Phthalocyanines
- Additional Journal Information:
- Other Information: Submitted to Journal Porphyrins Phthalocyanines; PBD: 9 Nov 1999
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; ABSORPTION SPECTRA; PORPHYRINS; DECOMPOSITION; MOLECULAR STRUCTURE; VIBRATIONAL STATES; ULTRAVIOLET RADIATION; VISIBLE RADIATION
Citation Formats
SHELNUTT, JOHN A. Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins. United States: N. p., 1999.
Web.
SHELNUTT, JOHN A. Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins. United States.
SHELNUTT, JOHN A. 1999.
"Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins". United States. https://www.osti.gov/servlets/purl/14829.
@article{osti_14829,
title = {Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins},
author = {SHELNUTT, JOHN A},
abstractNote = {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.},
doi = {},
url = {https://www.osti.gov/biblio/14829},
journal = {Journal Porphyrins Phthalocyanines},
number = ,
volume = ,
place = {United States},
year = {Tue Nov 09 00:00:00 EST 1999},
month = {Tue Nov 09 00:00:00 EST 1999}
}
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