Substituent effect on molecular structure of the triazolium ring: Geometrical analysis, atomic charges, aromaticity and vibrational spectra

Vibrational Spectroscopy

Volumn 44, Issue 1, 2007, Pages 19-29

  Malek, Kamilla ^a   Schroeder, Grzegorz ^b   Proniewicz, Leonard M ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

1,2,4 Triazolium salts; B3LYP calculation; GAPT atomic charges; HOMA aromaticity; IR; Raman spectra

Indexed keywords

CARRIER CONCENTRATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

B3LYP CALCULATION; ELECTRON DELOCALIZATION; GAPT ATOMIC CHARGES; HOMA AROMATICITY; TRIAZOLIUM CATIONS;

AROMATIC COMPOUNDS;

EID: 34047136684     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2006.06.014     Document Type: Article

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