Synthesis, spectroscopic characterization and quantum chemical computational studies of (S)-N-benzyl-1-phenyl-5-(pyridin-2-yl)-pent-4-yn-2- amine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 435-448

  Kose, Etem ^a   Atac, Ahmet ^a   Karabacak, Mehmet ^b   Karaca, Caglar ^a   Eskici, Mustafa ^a   Karanfil, Abdullah ^a  

^a CELAL BAYAR UNIVERSITY   (Turkey)

^b AFYON KOCATEPE UNIVERSITY   (Turkey)

Author keywords

DFT; FT IR; NMR; Nonlinear optics; UV

Indexed keywords

ABSORPTION WAVELENGTHS; B3LYP METHOD; BASIS SETS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORIES (DFT); DFT; FIRST HYPERPOLARIZABILITIES; FT-IR; FUNDAMENTAL VIBRATIONS; MOLECULAR GEOMETRIES; NMR CHEMICAL SHIFTS; NON-LINEAR OPTICAL MATERIAL; OSCILLATOR STRENGTHS; PARTIAL DENSITY OF STATE; POLARIZABILITIES; POPULATION DENSITIES; QUANTUM CHEMICAL; SCALED QUANTUM MECHANICS; SPECTROSCOPIC CHARACTERIZATION; SPECTROSCOPIC PROPERTY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TOTAL ENERGY DISTRIBUTIONS; UV; VIBRATIONAL MODES; VIBRATIONAL WAVENUMBERS;

CHEMICAL SHIFT; NONLINEAR OPTICS; NUCLEAR MAGNETIC RESONANCE; ORGANIC COMPOUNDS; POPULATION STATISTICS; QUANTUM CHEMISTRY; QUANTUM THEORY; ULTRAVIOLET SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

(S) N BENZYL 1 PHENYL 5 (PYRIDIN 2 YL) PENT 4 YN 2 AMINE; (S)-N-BENZYL-1-PHENYL-5-(PYRIDIN-2-YL)-PENT-4-YN-2-AMINE; AMINE; BENZYL DERIVATIVE; PYRIDINE DERIVATIVE; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; HARDNESS; LIGHT RELATED PHENOMENA; NONLINEAR SYSTEM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STATIC ELECTRICITY; SYNTHESIS; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

AMINES; BENZYL COMPOUNDS; ELECTRONS; HARDNESS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; OPTICAL PHENOMENA; PYRIDINES; QUANTUM THEORY; SOLVENTS; SPECTROPHOTOMETRY, ULTRAVIOLET; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION;

EID: 84865281243     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.06.041     Document Type: Article

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