G3 global minima for CH4BX structural isomers X = Li to Br
Joint Authors
Hilal, Mustafa R.
Affanah, Akif T.
Schleyer, Paul von R.
Source
Issue
Vol. 3, Issue 2 (30 Jun. 2008), pp.155-168, 14 p.
Publisher
Yarmouk University Deanship of Research and Graduate Studies
Publication Date
2008-06-30
Country of Publication
Jordan
No. of Pages
14
Main Subjects
Topics
Abstract EN
The energetic and structural relationships of various CH4BX (X = Li to Br) isomers were elucidated at HF/6-311 + G**, B3LYP/6-311+G**, and G3 levels of theory.
The relative stabilities of bisected, eclipsed, bridged, and cyclic XCH2BH2 species, as well as their global minima, are determined by the electronegativity and the basicity of X.
Alternatively, CH3BHX structural isomers are the global minima when X is a methyl group or an element with at least one lone pair.
Eclipsed BX rather than BH CH3BHX conformers are generally preferred, but the energy differences are small.
American Psychological Association (APA)
Hilal, Mustafa R.& Affanah, Akif T.& Schleyer, Paul von R.. 2008. G3 global minima for CH4BX structural isomers X = Li to Br. Jordan Journal of Chemistry،Vol. 3, no. 2, pp.155-168.
https://search.emarefa.net/detail/BIM-275338
Modern Language Association (MLA)
Hilal, Mustafa R.…[et al.]. G3 global minima for CH4BX structural isomers X = Li to Br. Jordan Journal of Chemistry Vol. 3, no. 2 (Jun. 2008), pp.155-168.
https://search.emarefa.net/detail/BIM-275338
American Medical Association (AMA)
Hilal, Mustafa R.& Affanah, Akif T.& Schleyer, Paul von R.. G3 global minima for CH4BX structural isomers X = Li to Br. Jordan Journal of Chemistry. 2008. Vol. 3, no. 2, pp.155-168.
https://search.emarefa.net/detail/BIM-275338
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 167-168
Record ID
BIM-275338