Probing self-associated structures of the solute molecule, acrylonitrile, the solvent molecule 2Cl-phenol and their binary complexes via concentration-dependent Raman study and DFT calculation

Journal of Raman Spectroscopy

Volumn 37, Issue 1-3, 2006, Pages 68-75

  Srivastava, S K ^a   Ojha, Animesh K ^a   Sinha, P K ^b   Asthana, B P ^a   Singh, Ranjan K ^a  

^a BANARAS HINDU UNIVERSITY   (India)

^b CSIR CENTRAL GLASS AND CERAMIC RESEARCH INSTITUTE   (India)

Author keywords

ab initio calculation; Acrylonitrile; Binary mixture; Hydrogen bonding; Self association

Indexed keywords

ASSOCIATION REACTIONS; BINARY MIXTURES; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DIMERS; GEOMETRY; HYDROGEN BONDS; MOLECULES;

AB INITIO CALCULATIONS; ACRYLONITRILE; CONCENTRATION-DEPENDENT; GEOMETRY OPTIMIZATION; RAMAN STUDIES; RING BREATHING MODES; SELF-ASSOCIATED STRUCTURE; SELF-ASSOCIATIONS; SOLUTE MOLECULES; TWO-COMPONENT;

PHENOLS;

EID: 32044440252     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.1451     Document Type: Conference Paper

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