Theoretical investigation of ion pair SN2 reactions of alkali isothiocyanates with alkyl halides. Part 1. Reaction of lithium isothiocyanate and methyl fluoride with inversion mechanism

International Journal of Quantum Chemistry

Volumn 101, Issue 1, 2005, Pages 104-112

  Zhu, Hua Jie ^a   Ren, Yi ^b   Ren, Jie ^a   Chu, San Yan ^c  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b SICHUAN UNIVERSITY   (China)

^c NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

Ab initio; Inversion mechanism; Isothiocyanate; Reaction pathway; S N2; Thiocyanate

Indexed keywords

CHARGE TRANSFER; HALOGENATION; POSITIVE IONS; REACTION KINETICS; STABILITY; THERMODYNAMICS;

AB INITIO; INVERSION MECHANISM; ISOTHIOCYANATE; REACTION PATHWAY; SN2; THIOCYANATE;

ALKALI METAL COMPOUNDS;

EID: 10044236407     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20213     Document Type: Article

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