FT-IR, FT-Raman, NMR and UV-vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 85, Issue 1, 2012, Pages 179-189

  Karabacak, M ^a   Cinar, Z ^a   Kurt, M ^b   Sudha, S ^c   Sundaraganesan, N ^c  

^a AFYON KOCATEPE UNIVERSITY   (Turkey)

^b AHI EVRAN UNIVERSITY   (Turkey)

^c ANNAMALAI UNIVERSITY   (India)

Author keywords

4 Butyl benzoic acid; DFT; Dimer; NMR; UV vis spectra; Vibrational spectra

Indexed keywords

ABSORPTION WAVELENGTHS; ATOMIC ORBITAL; B3LYP METHOD; BASIS SETS; BENZOIC ACID; DFT; DFT CALCULATION; DFT METHOD; EXPERIMENTAL DATA; EXPERIMENTAL FREQUENCIES; FT-RAMAN; FTIR AND FT-RAMAN SPECTRA; GEOMETRIC PARAMETER; H NMR SPECTRA; HARMONIC VIBRATIONAL FREQUENCIES; INFRARED AND RAMAN SPECTRA; IR INTENSITIES; LUMO ENERGY; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; OVERTONE BANDS; RAMAN INTENSITIES; SOLID-PHASE; STRUCTURAL CHARACTERISTICS; TIME-DEPENDENT; UV-VIS SPECTRA; UV-VISIBLE SPECTRA; VIBRATIONAL ASSIGNMENT;

CARBOXYLIC ACIDS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; DIMERS; ELECTRONIC PROPERTIES; MOLECULES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

ATOMIC SPECTROSCOPY;

4 TERT BUTYLBENZOIC ACID; 4-TERT-BUTYLBENZOIC ACID; BENZOIC ACID DERIVATIVE;

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

BENZOIC ACIDS; DIMERIZATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 81155134737     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.058     Document Type: Article

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