Merocyanine dyes containing an isoxazolone nucleus: Synthesis, X-ray crystal structures, spectroscopic properties and DFT studies

Dyes and Pigments

Volumn 93, Issue 1-3, 2012, Pages 1408-1415

  Zhang, Xiang Han ^a   Zhan, Yong Hua ^a   Chen, Dan ^a   Wang, Fu ^a   Wang, Lan Ying ^b  

^a XIDIAN UNIVERSITY   (China)

^b NORTHWEST UNIVERSITY   (China)

Author keywords

DFT calculations; H bond; Merocyanine dyes; Solvent effect; Vibrational spectroscopy; X ray diffraction

Indexed keywords

B3LYP METHOD; CRYSTAL PACKINGS; CRYSTALLOGRAPHIC DATA; DFT CALCULATION; DFT STUDY; ELECTRONIC SPECTRUM; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL DATA; H-BOND; MEROCYANINE DYE; MONOCLINIC SYSTEMS; ORTHORHOMBIC SYSTEMS; QUANTUM CHEMICAL; ROOM TEMPERATURE; SOLVENT EFFECT; SPACE GROUPS; SPECTROSCOPIC PROPERTY; STACKING INTERACTION; TAUTOMERIC FORMS; UV-VIS SPECTROSCOPY; X RAY CRYSTAL STRUCTURES;

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; QUANTUM CHEMISTRY; SINGLE CRYSTALS; ULTRAVIOLET SPECTROSCOPY; ULTRAVIOLET VISIBLE SPECTROSCOPY; VIBRATIONAL SPECTROSCOPY; X RAY DIFFRACTION;

X RAY DIFFRACTION ANALYSIS;

EID: 80355125277     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dyepig.2011.10.003     Document Type: Article

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