An ab initio theoretical prediction: An antiaromatic ring π-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH⋯C4H4⋯HF

Journal of Chemical Physics

Volumn 120, Issue 3, 2004, Pages 1330-1335

  Wu, Di ^a   Li, Zhi Ru ^a   Hao, Xi Yun ^a   Jalbout, A F ^b   Adamowicz, L ^c   Li, Ru Jiao ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

^b DILLARD UNIVERSITY   (United States)

^c UNIVERSITY OF ARIZONA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; NUMERICAL ANALYSIS; OPTIMIZATION; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS; SUBSTITUTION REACTIONS; VAN DER WAALS FORCES;

CYCLOBUTADIENE; DIHYDROGEN BOND; INTERACTION ENERGY OPTIMIZATION; POTENTIAL ENERGY SURFACES; SECONDARY INTERACTIONS;

MOLECULAR DYNAMICS;

EID: 1142291793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1623744     Document Type: Article

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