Connections Between 11B NMR Chemical Shifts and Electronic Structure in Metallaboranes. A Précis

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Title:Connections Between 11B NMR Chemical Shifts and Electronic Structure in Metallaboranes. A Précis
Creators:
Fehlner, Thomas P.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 64, 5, pp. 767-782
Uncontrolled Keywords:Review, Boranes, NMR spectroscopy, <sup>11</sup>B, Molecular orbitals, Clusters, Metallaboranes

Abstract

An analysis of selected sets of metallaboranes in terms of a molecular orbital (MO) model of <sup>11</sup>B chemical shift change is used to demonstrate the origin of transition metal effects on boron shifts for: (i) M-B edge protonation; (ii) replacement of direct B-B by M-B interactions; (iii) encapsulation of B in a metal cluster; (iv) change in metal identity; and (v) change in vertex coordination number. Metal effects on both filled and unfilled MO's are important but changes in the latter appear to dominate. Consequently, models based solely on filled orbital properties, <i>e.g.</i>, electronic charge, are inadequate. A short review with 56 references.

Title:Connections Between 11B NMR Chemical Shifts and Electronic Structure in Metallaboranes. A Précis
Creators:
Fehlner, Thomas P.
Uncontrolled Keywords:Review, Boranes, NMR spectroscopy, <sup>11</sup>B, Molecular orbitals, Clusters, Metallaboranes
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:64
Number:5
Page Range:pp. 767-782
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19990767UNSPECIFIED
ID Code:1516
Item Type:Article
Deposited On:06 Feb 2009 17:10
Last Modified:06 Feb 2009 16:10

Citation

Fehlner, Thomas P. (1999) Connections Between 11B NMR Chemical Shifts and Electronic Structure in Metallaboranes. A Précis. Collection of Czechoslovak Chemical Communications, 64 (5). pp. 767-782. ISSN 0010-0765

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