메뉴 건너뛰기




Volumn 50, Issue 16, 2011, Pages 7871-7879

Computational studies of Lewis acidities of tris(fluorophenyl)-substituted boranes: An additive relationship between lewis acidity and fluorine position

Author keywords

[No Author keywords available]

Indexed keywords


EID: 80051500596     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic201182p     Document Type: Article
Times cited : (34)

References (55)
  • 40
    • 80051525239 scopus 로고    scopus 로고
    • version 1.3.5d9; University of Erlangen-Nürnberg, Erlangen, Germany
    • van Eikema Hommes, N. Molecule for Macintosh, version 1.3.5d9; University of Erlangen-Nürnberg, Erlangen, Germany, 1999.
    • (1999) Molecule for Macintosh
    • Van Eikema Hommes, N.1
  • 41
    • 80051487043 scopus 로고    scopus 로고
    • version 12.2.9, Microsoft Corporation
    • Microsoft Excel 2008 for Macintosh, version 12.2.9, Microsoft Corporation, 2007.
    • (2007) Microsoft Excel 2008 for Macintosh
  • 42
    • 80051538527 scopus 로고    scopus 로고
    • (Accessed May 25
    • http://en.wikipedia.org/wiki/Statistical-hypothesis-testing (Accessed May 25, 2011.
    • (2011)
  • 43
    • 80051493919 scopus 로고    scopus 로고
    • (Accessed May 25)
    • http://en.wikipedia.org/wiki/Student's-t-distribution (Accessed May 25, 2011).
    • (2011)
  • 46
    • 0003944545 scopus 로고
    • A reviewer queried how this congestion was assessed, given that substitution solely at the 2-position did not lead to longer B-N/B-P bonds. This might cause one to conclude that H and F are isosteric when attached to a boron aryl. As the steric effect between boron and the aryl substituents is largely through space, we view the van der Waals radius as a reasonable indicator of steric size. For H and F, the vdW radii are 1.2 and 1.5 Å, respectively (; 4 th ed. HarperCollins: New York, p). It appears that borane can adjust the aryl rings to accommodate one fluorine at the 2-position but not two at the 2- and 6-positions
    • A reviewer queried how this congestion was assessed, given that substitution solely at the 2-position did not lead to longer B-N/B-P bonds. This might cause one to conclude that H and F are isosteric when attached to a boron aryl. As the steric effect between boron and the aryl substituents is largely through space, we view the van der Waals radius as a reasonable indicator of steric size. For H and F, the vdW radii are 1.2 and 1.5 Å, respectively (Huheey, J. E.; Keiter, E. A.; Keiter, R. L. Inorganic Chemistry: Principles of Structure and Reactivity, 4 th ed.; HarperCollins: New York, 1993; p 292). It appears that borane can adjust the aryl rings to accommodate one fluorine at the 2-position but not two at the 2- and 6-positions.
    • (1993) Inorganic Chemistry: Principles of Structure and Reactivity , pp. 292
    • Huheey, J.E.1    Keiter, E.A.2    Keiter, R.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.