Synthesis, multiple interactions and spectroscopy analysis of ethyl-4-[(benzoyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate: Through experimental and quantum chemical approaches

Journal of Molecular Structure

Volumn 1035, Issue , 2013, Pages 295-306

  Singh, R N ^a   Kumar, Amit ^a   Tiwari, R K ^a   Rawat, Poonam ^a  

^a UNIVERSITY OF LUCKNOW   (India)

Author keywords

AIM calculation; Hydrogen bonded dimer; Multiple interactions; Pyrrole hydrazide hydrazone; Reactivity descriptors

Indexed keywords

DESCRIPTORS; DIMER FORMATION; ENERGETIC PARAMETERS; H-BONDING; HETERONUCLEAR; HYDROGEN-BONDED DIMERS; INTERACTION ENERGIES; MOLECULAR ELECTROSTATIC POTENTIALS; MULTIPLE INTERACTIONS; PYRROLE HYDRAZIDE-HYDRAZONE; QUANTUM CHEMICAL APPROACH; QUANTUM CHEMICAL CALCULATIONS; REACTIVITY DESCRIPTORS; RED SHIFT; ROOM TEMPERATURE; THERMODYNAMIC PARAMETER; VIBRATIONAL ANALYSIS;

AROMATIC COMPOUNDS; CARBOXYLATION; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS;

DIMERS;

EID: 84873602876     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.10.065     Document Type: Article

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