Properties of complexes H2C=(X)P:PXH2, for X = F, Cl, OH, CN, NC, CCH, H, CH3, and BH2: P···P pnicogen bonding at σ-Holes and π-holes

Journal of Physical Chemistry A

Volumn 117, Issue 45, 2013, Pages 11592-11604

  Del Bene, Janet E ^a   Alkorta, Ibon ^b   Elguero, José ^b  

^a YOUNGSTOWN STATE UNIVERSITY   (United States)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MP2; ANTIBONDING; COUPLING CONSTANTS; ELECTRON DONATION; ELECTRONEGATIVE SUBSTITUENTS; INTERMOLECULAR DISTANCE; POTENTIAL SURFACES; SPIN-SPIN COUPLING CONSTANTS;

BINDING ENERGY; CALCULATIONS; CHARGE TRANSFER; CHEMICAL BONDS; CHLORINE COMPOUNDS; COMPLEXATION;

CONFORMATIONS;

INORGANIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; THERMODYNAMICS;

INORGANIC CHEMICALS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; THERMODYNAMICS;

EID: 84887861605     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp409016q     Document Type: Article

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