Vibrational spectra, NMR and HOMO-LUMO analysis of 9-fluorenone-2- carboxylic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 105, Issue , 2013, Pages 176-183

  Kandasamy, M ^a   Velraj, G ^b   Kalaichelvan, S ^a  

^a ARIGNAR ANNA GOVERNMENT ARTS COLLEGE   (India)

^b PERIYAR UNIVERSITY   (India)

Author keywords

9 Fluorenone 2 carboxylic acid; DFT B3LYP; FT Raman; FTIR; NBO; NMR

Indexed keywords

BASIS SETS; DFT-B3LYP; ELECTRONIC INTERACTIONS; EXPERIMENTAL DATUM; FT-RAMAN; FTIR; FTIR AND FT-RAMAN SPECTRA; GIAO METHODS; HARMONIC VIBRATIONAL FREQUENCIES; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOMO-LUMO ANALYSIS; LOW FREQUENCY REGIONS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MOLECULAR GEOMETRIES; NBO; NBO ANALYSIS; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; QUANTUM CHEMICAL CALCULATIONS; RAMAN INTENSITIES; SPECTROSCOPIC STUDIES; STABILIZATION ENERGY; THEORETICAL AND EXPERIMENTAL;

FOURIER TRANSFORM INFRARED SPECTROSCOPY; KETONES; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS; VIBRATIONAL SPECTRA;

CARBOXYLIC ACIDS;

9 FLUORENONE; 9-FLUORENONE; CARBOXYLIC ACID; FLUORENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

CARBOXYLIC ACIDS; FLUORENES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 84871978178     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.11.065     Document Type: Article

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