Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 3, 2011, Pages 529-532

  Irak, Cirak ^a   Demir, Seluk ^b   Ucun, Fatih ^c   Ubuk, Osman ^a  

^a ERZINCAN UNIVERSITY   (Turkey)

^b RECEP TAYYIP ERDOGAN UNIVERSITY   (Turkey)

^c SULEYMAN DEMIREL UNIVERSITY   (Turkey)

Author keywords

2 Aminopyridinium dihydrogenphosphate; DFT; HF; Vibrational analysis

Indexed keywords

2-AMINOPYRIDINIUM; AB - INITIO HARTREE-FOCK; B3LYP METHOD; BASIS SETS; BOND ANGLE; DENSITY FUNCTIONALS; DFT; EXPERIMENTAL DATA; FT-IR SPECTRUM; GEOMETRIC PARAMETER; HF; IR SPECTRUM; POTENTIAL ENERGY DISTRIBUTION; SCALE FACTOR; THEORETICAL STUDY; VIBRATIONAL ANALYSIS; VIBRATIONAL FREQUENCIES;

OPTIMIZATION; QUANTUM CHEMISTRY;

VIBRATIONAL SPECTRA;

2 AMINOPYRIDINIUM DIHYDROGENPHOSPHATE; 2-AMINOPYRIDINIUM DIHYDROGENPHOSPHATE; PYRIDINIUM DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; PH; QUANTUM THEORY;

HYDROGEN-ION CONCENTRATION; MODELS, MOLECULAR; PYRIDINIUM COMPOUNDS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED;

EID: 79956270650     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.03.026     Document Type: Article

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