Vibrational spectra of mixed (phthalocyaninato)(porphyrinato) yttrium(III) double-decker complexes: Density functional theory calculations

Vibrational Spectroscopy

Volumn 51, Issue 2, 2009, Pages 184-192

  Zhang, Yuexing ^a,b   Qi, Dongdong ^a,b   Cai, Xue ^a,b   Jiang, Jianzhuang ^a,b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b SHANDONG UNIVERSITY   (China)

Author keywords

Density functional theory; Infrared spectra; Phthalocyanine; Porphyrin; Raman spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT STUDY; IN-LINE; INFRARED SPECTRA; IR AND RAMAN SPECTRA; IR SPECTRUM; MONOANIONS; NORMAL COORDINATE ANALYSIS; PHTHALOCYANINE; RAMAN SPECTRA; RAMAN SPECTRUM; RARE EARTH COMPLEX; SIMPLIFIED MODELS; SIMULATED SPECTRA; SPECTROSCOPIC PROPERTY; TETRAPYRROLES; THEORETICAL CALCULATIONS; VIBRATIONAL MODES;

INFRARED SPECTROSCOPY; LIGANDS; NITROGEN COMPOUNDS; PORPHYRINS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; RARE EARTH ELEMENTS; RARE EARTHS; VIBRATION ANALYSIS; VIBRATIONAL SPECTRA; VIBRATIONAL SPECTROSCOPY; YTTRIUM; YTTRIUM ALLOYS;

DENSITY FUNCTIONAL THEORY;

EID: 70350572921     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2009.04.006     Document Type: Article

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