Crystal structure and vibrational spectra of melaminium 2,5-dinitrophenolate monohydrate: FT-IR, FT-Raman and quantum chemical calculations

Vibrational Spectroscopy

Volumn 56, Issue 2, 2011, Pages 255-264

  Marchewka, M K ^a   Pietraszko, A ^a   Feki, H ^b   Abid, Y ^b  

^a INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

^b Faculté des Sciences de Sfax   (Tunisia)

Author keywords

DFT calculations; FT IR spectroscopy; FT Raman spectroscopy; Hydrogen bonded molecular crystal; X ray crystallography

Indexed keywords

ACIDIC PROTON; B3LYP/6-31G; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; FT- RAMAN SPECTROSCOPY; FT-IR SPECTROSCOPY; FT-RAMAN; PHENOL GROUPS; PROTONATED; QUANTUM CHEMICAL; QUANTUM CHEMICAL CALCULATIONS; THREE-DIMENSIONAL STRUCTURE; TITLE COMPOUNDS; TRICLINIC SYSTEMS; VIBRATIONAL EFFECTS;

DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; MELAMINE FORMALDEHYDE RESINS; MOLECULAR CRYSTALS; PHENOLS; QUANTUM CHEMISTRY; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 79955928431     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2011.03.006     Document Type: Article

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