Effects of π bond type, backbone size, and halogen on structural and spectroscopic properties of hydrogen-bonded complexes of the X - H ⋯ π type between alkenes or alkynes and haloacids (HF and HCI)

International Journal of Quantum Chemistry

Volumn 106, Issue 4, 2006, Pages 1009-1019

  Ventura, E ^a   Monte, S A D O ^a   Fragoso, W ^a   Braga, C F ^a   Araujo R C M U ^a  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

Author keywords

type hydrogen bonded complexes; Ab inirio; DFT methods; Factorial design

Indexed keywords

COMPLEXATION; COMPUTATION THEORY; OLEFINS; PROBABILITY DENSITY FUNCTION;

Π-TYPE HYDROGEN-BONDED COMPLEXES; AB INIRIO; DFT METHODS; FACTORIAL DESIGN;

HYDROGEN BONDS;

EID: 33644932639     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20823     Document Type: Article

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