Experimental and density functional studies on 4-(4-cyanobenzylideneamino) antipyrine

Molecular Physics

Volumn 107, Issue 3, 2009, Pages 223-235

  Sun, Yu Xi ^a,b   Hao, Qing Li ^a   Yu, Zong Xue ^a   Wei, Wen Xian ^a   Lu, Lu De ^a   Wang, Xin ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

Author keywords

4 (4 cyanobenzylideneamino)antipyrine; Crystal structure; NLO; UV VIS; Vibrational frequency

Indexed keywords

4-(4-CYANOBENZYLIDENEAMINO)ANTIPYRINE; ABSORPTION BAND; B3LYP METHOD; BASIS SETS; CRYSTAL STRUCTURAL; CRYSTALLOGRAPHIC STUDIES; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL STUDY; DIHEDRAL ANGLES; DOUBLE BONDS; ELEMENTAL ANALYSIS; EXPERIMENTAL VALUES; FIRST HYPERPOLARIZABILITY; MOLECULAR DIPOLE MOMENT; NLO; OPTIMIZED GEOMETRIES; PHENYL RINGS; POLARIZABILITY; PYRAZOLE RING; PYRAZOLINE; SCHIFF-BASE; STANDARD ENTHALPY; STANDARD ENTROPY; STANDARD HEAT CAPACITY; TITLE COMPOUNDS; TRANS CONFIGURATION; UV-VIS; VIBRATIONAL ANALYSIS; VIBRATIONAL FREQUENCIES; VIBRATIONAL FREQUENCY; X-RAY SINGLE-CRYSTAL DIFFRACTION;

NITROGEN COMPOUNDS; SINGLE CRYSTALS; STANDARDS; X RAY DIFFRACTION ANALYSIS;

CRYSTAL STRUCTURE;

EID: 67651241777     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902769471     Document Type: Article

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