Normal coordinate analysis of bilirubin vibrational spectra: Effects of intramolecular hydrogen bonding

Bijun Yang, Robert C. Taylor, Michael D. Morris, Xiu Zhen Wang, Jin guang Wu, Bao Zhu Yu, Guang xian Xu, Roger D. Soloway

Research output: Contribution to journalArticle

29 Scopus citations

Abstract

Normal coordinate analyses are presented for half-bilirubin molecules. Calculations for the AB pyrromethenone include intramolecular hydrogen bonds, while those for the CD chromophore exclude intramolecular hydrogen bonds. Valence force-field parameters have been optimized to correlate closely with the IR and Raman spectra of the target molecules. The results of the calculations are compared with the spectra of bilirubin IXa and various model compounds in the solid state and solution.

Original languageEnglish (US)
Pages (from-to)1735-1749
Number of pages15
JournalSpectrochimica Acta Part A: Molecular Spectroscopy
Volume49
Issue number12
DOIs
StatePublished - Nov 1993

ASJC Scopus subject areas

  • Engineering(all)

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    Yang, B., Taylor, R. C., Morris, M. D., Wang, X. Z., Wu, J. G., Yu, B. Z., Xu, G. X., & Soloway, R. D. (1993). Normal coordinate analysis of bilirubin vibrational spectra: Effects of intramolecular hydrogen bonding. Spectrochimica Acta Part A: Molecular Spectroscopy, 49(12), 1735-1749. https://doi.org/10.1016/0584-8539(93)80241-2