Effect of substitution and cooperativity on the Cl-F blue shift in single-electron halogen-bonded H3C ⋯clF complex

Molecular Physics

Volumn 108, Issue 15, 2010, Pages 2021-2026

  Zhou, Zhong Jun ^a   Liu, Hui Ling ^a   Huang, Xu Ri ^a   Li, Qing Zhong ^b   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

^b YANTAI UNIVERSITY   (China)

Author keywords

Blue shift; Cooperativity; Dihalogen; Single electron halogen bond; Substitution

Indexed keywords

ATOMS IN MOLECULES; BLUE SHIFT; COOPERATIVITY; EFFECT OF SUBSTITUTION; ELECTRON DONORS; ELECTRON WITHDRAWING GROUP; ELECTRON-DONATING GROUP; HALOGEN BONDS; METHYL GROUP; NATURAL BOND ORBITAL; QUANTUM CHEMICAL CALCULATIONS; SINGLE ELECTRON; STRETCH VIBRATIONS;

CHEMICAL BONDS; HALOGEN COMPOUNDS; HALOGEN ELEMENTS; HYDROCARBONS; QUANTUM CHEMISTRY;

ELECTRONS;

EID: 77955384163     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.503198     Document Type: Article

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