Vibrational spectroscopy and quantum chemical studies of 1,6,7,12,13,18-hexaazatrinaphthylene and related compounds

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 72, Issue 1, 2009, Pages 209-213

  Gordon, Keith C ^a   David, Gabrielle ^a   Walsh, Timothy J ^a  

^a UNIVERSITY OF OTAGO   (New Zealand)

Author keywords

DFT; Hexaazatrinaphthylene; Raman

Indexed keywords

BASIS SETS; DFT; EXPERIMENTAL DATUMS; FREQUENCY SHIFTS; HEXAAZATRINAPHTHYLENE; MEAN ABSOLUTE DEVIATIONS; QUANTUM CHEMICAL STUDIES; RAMAN; RELATED COMPOUNDS; RELATIVE INTENSITIES; SPECTRAL PROPERTIES; SUBSTITUENT EFFECTS; TRANSITION ENERGIES;

CHEMICAL COMPOUNDS; CHEMICAL PROPERTIES; ELECTRONIC PROPERTIES; HOLOGRAMS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

FUSED HETEROCYCLIC RINGS;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION; X RAY CRYSTALLOGRAPHY;

ABSORPTION; CRYSTALLOGRAPHY, X-RAY; HETEROCYCLIC COMPOUNDS WITH 4 OR MORE RINGS; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 58049089579     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.07.039     Document Type: Article

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