A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory

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Title:A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
Creators:
Rempala, Pawel
Michl, Josef
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 68, 3, pp. 644-662
Uncontrolled Keywords:<i>Ab initio</i> calculations, Boranes, DFT calculations, Carbenes, Density functional calculations, Carboranes, Reaction mechanisms, Boron clusters

Abstract

A plausible mechanism is proposed for the insertion of dichlorocarbene into [<i>nido</i>-B<sub>11</sub>H<sub>14</sub>]<sup>-</sup> to yield [<i>closo</i>-CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> and is supported by the results of density functional theory and <i>ab initio</i> calculations. <p>

Title:A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
Creators:
Rempala, Pawel
Michl, Josef
Uncontrolled Keywords:<i>Ab initio</i> calculations, Boranes, DFT calculations, Carbenes, Density functional calculations, Carboranes, Reaction mechanisms, Boron clusters
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:68
Number:3
Page Range:pp. 644-662
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20030644UNSPECIFIED
ID Code:2076
Item Type:Article
Deposited On:06 Feb 2009 17:15
Last Modified:06 Feb 2009 16:15

Citation

Rempala, Pawel; Michl, Josef (2003) A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory. Collection of Czechoslovak Chemical Communications, 68 (3). pp. 644-662. ISSN 0010-0765

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