Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins

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Description

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.

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42 p.

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SHELNUTT,JOHN A. November 9, 1999.

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This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 64 times . More information about this article can be viewed below.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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Description

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.

Physical Description

42 p.

Notes

OSTI as DE00014829

Medium: P; Size: 42 pages

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  • Journal Name: Journal Porphyrins Phthalocyanines; Other Information: Submitted to Journal Porphyrins Phthalocyanines

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  • Report No.: SAND99-2951J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 14829
  • Archival Resource Key: ark:/67531/metadc625268

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  • November 9, 1999

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • April 12, 2017, 3:35 p.m.

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SHELNUTT,JOHN A. Normal-Coordinate Structural Decomposition and the Vibronic Spectra of Porphyrins, article, November 9, 1999; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc625268/: accessed December 10, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.