Cooperativity between the hydrogen bonding and halogen bonding in F 3CX⋯ NCH(CNH)⋯NCH(CNH) complexes (X=Cl, Br)

Molecular Physics

Volumn 109, Issue 13, 2011, Pages 1641-1648

  Solimannejad, Mohammad ^a   Malekani, Masumeh ^a   Alkorta, Ibon ^b  

^a ARAK UNIVERSITY   (Iran)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

hole bonding; cooperativity; halogen bonding; hydrogen bonding

Indexed keywords

ATOMS IN MOLECULES; BASIS SETS; COMPUTATIONAL LEVEL; COOPERATIVITY; ENERGY VALUE; HALOGEN BONDING; HALOGEN BONDS; INFRARED SPECTRUM; INTERMOLECULAR INTERACTIONS; MANY-BODY INTERACTIONS; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR GEOMETRIES; MP2 CALCULATIONS; SHIFT MAPS;

BINDING ENERGY; BROMINE; CHLORINE; CHLORINE COMPOUNDS; COMPLEXATION; ELECTRONIC PROPERTIES; FLUORINE; HYDROGEN; SPECTROSCOPY;

HYDROGEN BONDS;

EID: 79960980796     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.582050     Document Type: Article

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