The molecular, electronic structures and IR and Raman spectra of metal-free, N,N′-dideuterio, and magnesium tetra-2,3-pyrazino-porphyrazines: Density functional calculations

Vibrational Spectroscopy

Volumn 43, Issue 2, 2007, Pages 447-459

  Liu, Zhongqiang ^a,b   Zhang, Xianxi ^a,c   Zhang, Yuexing ^a   Jiang, Jianzhuang ^a  

^a SHANDONG UNIVERSITY   (China)

^b QILU UNIVERSITY OF TECHNOLOGY   (China)

^c LIAOCHENG UNIVERSITY   (China)

Author keywords

DFT method; Electronic structure; IR and Raman spectra; Molecular structure; Tetra 2,3 pyrazino porphyrazine

Indexed keywords

ELECTRONIC STRUCTURE; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING;

ANIMATED PICTURES; DENSITY FUNCTIONAL CALCULATIONS; PORPHYRAZINE;

MAGNESIUM COMPOUNDS;

EID: 33846884798     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2006.06.002     Document Type: Article

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