Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 1, 2011, Pages 160-167

  Kosar, Basak ^a   Albayrak, Cigdem ^a  

^a SINOP UNIVERSITY   (Turkey)

Author keywords

Density functional theory; IR and UV vis spectra; Natural bond orbital analysis; Non linear optical properties; Schiff base

Indexed keywords

B3LYP/6-31G; COMPUTATIONAL STUDIES; ELECTRONIC ABSORPTION SPECTRA; ENERGETIC BEHAVIOR; FRONTIER MOLECULAR ORBITALS; METHOXY; MOLECULAR ELECTROSTATIC POTENTIALS; NATURAL BOND ORBITAL; NATURAL BOND ORBITAL ANALYSIS; NON-LINEAR OPTICAL PROPERTIES; OPTIMIZED GEOMETRIES; POLARIZABLE CONTINUUM MODEL; QUANTUM CHEMICAL; SCHIFF-BASE; SOLVENT MEDIA; SPECTROSCOPIC INVESTIGATIONS; TITLE COMPOUNDS; UV-VIS SPECTRA;

CHEMICAL BONDS; CONTINUUM MECHANICS; ELECTRONIC STRUCTURE; FUNCTIONAL GROUPS; MOLECULAR ORBITALS; OPTICAL PROPERTIES; PHENOLS; RAPID THERMAL ANNEALING;

DENSITY FUNCTIONAL THEORY;

(E) 4 METHOXY 2 ((P TOLYLIMINO)METHYL)PHENOL; (E)-4-METHOXY-2-((P-TOLYLIMINO)METHYL)PHENOL; IMINE; PHENOL; PHENOL DERIVATIVE; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ENTROPY; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; LIGHT RELATED PHENOMENA; NONLINEAR SYSTEM; QUANTUM THEORY; STATIC ELECTRICITY; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; X RAY DIFFRACTION;

ENTROPY; HYDROGEN BONDING; IMINES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; OPTICAL PHENOMENA; PHENOL; PHENOLS; QUANTUM THEORY; SOLVENTS; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; STATIC ELECTRICITY; THERMODYNAMICS; X-RAY DIFFRACTION;

EID: 78650686058     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.09.016     Document Type: Article

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