Structural parameters and vibrational spectra of a series of zinc meso-phenylporphyrins: A DFT and experimental study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 75, Issue 2, 2010, Pages 880-890

  Zhang, Ying Hui ^a   Zhao, Wei ^a   Jiang, Ping ^a   Zhang, Long Jin ^a   Zhang, Tao ^a   Wang, Jin ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

Geometry structure; meso Phenyl substitution; Porphyrin; Vibrational spectra

Indexed keywords

B3LYP/6-31G; BASIS OF CALCULATION; DFT CALCULATION; DIFFERENT STRUCTURE; EXPERIMENTAL STUDIES; GEOMETRIC STRUCTURE; GEOMETRY STRUCTURE; HIGHER FREQUENCIES; IN-PLANE; IN-PLANE DISTORTIONS; LOWER FREQUENCIES; MESO-PHENYL SUBSTITUTION; NORMAL MODES; OUT-OF-PLANE DISTORTIONS; PORPHINE; STRUCTURAL PARAMETER; TETRAPHENYL PORPHYRINS; VIBRATIONAL DISPLACEMENT; VIBRATIONAL STRUCTURES; ZINC PORPHYRINS;

PORPHYRINS; PROBABILITY DENSITY FUNCTION; VIBRATIONAL SPECTRA; ZINC;

ZINC COMPOUNDS;

PORPHYRIN; ZINC;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

PORPHYRINS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION; ZINC;

EID: 73749085447     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.12.027     Document Type: Article

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