Structures and properties of metal-free and copper tetrakis(thiadiazole) porphyrazine and metal-free tetrakis(selenodiazole) porphyrazine based on density functional theory calculations

Journal of Molecular Structure: THEOCHEM

Volumn 812, Issue 1-3, 2007, Pages 63-70

  Cai, Xue ^a,b   Zhang, Yuexing ^a   Zhang, Xianxi ^c   Jiang, Jianzhuang ^a  

^a SHANDONG UNIVERSITY   (China)

^b MUDANJIANG NORMAL UNIVERSITY   (China)

^c LIAOCHENG UNIVERSITY   (China)

Author keywords

Density functional theory (DFT) calculations; IR spectrum; Tetrakis(selenodiazole) porphyrazine; Tetrakis(thiadiazole) porphyrazine; UV vis spectrum

Indexed keywords

EID: 34248593804     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.02.010     Document Type: Article

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