Isolation and Structure of [(PPh3)3(PPh2)2Pd4B20H16]. A Possible Prognostic for New Globular Borane-Based Cluster Architectures

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Title:Isolation and Structure of [(PPh3)3(PPh2)2Pd4B20H16]. A Possible Prognostic for New Globular Borane-Based Cluster Architectures
Creators:
Yao, Hai-Jun
hu, Chun-Hua
Sun, Jie
Jin, Ruo-Shui
Zheng, Pei-Ju
Bould, Jonathan
Greatrex, Robert
Kennedy, John D.
Ormsby, Daniel L.
Thornton-Pett, Mark
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 64, 6, pp. 927-937
Uncontrolled Keywords:Palladium-boron clusters, <i>Ab initio</i> calculations, Large "megaloborane" polyhedral clusters, Boranes, X-Ray crystallography, Metallaboranes, NMR spectroscopy

Abstract

A novel metallaborane compound, [(PPh<sub>3</sub>)<sub>3</sub>(PPh<sub>2</sub>)<sub>2</sub>Pd<sub>4</sub>B<sub>20</sub>H<sub>16</sub>], prepared from [PdCl<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>] and [B<sub>10</sub>H<sub>10</sub>]<sup>2-</sup> in EtOH, exhibits a globular cluster architecture consisting of two twelve-vertex <i>closo</i> {PdB<sub>11</sub>} cluster units fused to generate a condensed globular {PdB<sub>20</sub>} assembly that has a tetrahedral {B<sub>4</sub>} borons-only core. There is dynamic bonding between this borane-based assembly and an unusual exopolyhedral palladium-based domain consisting of a {(PPh<sub>3</sub>)Pd(PPh<sub>2</sub>)Pd(PPh<sub>2</sub>)Pd(PPh<sub>3</sub>)} string. The central tetrahedral borons-only core suggests a new type of globular "megaloborane" architectural principle for higher condensed boron hydrides, which is assessed by <i>ab initio</i> studies at the STO-3G level on protonated [B<sub>28</sub>H<sub>18</sub>]<sup>2-</sup> and related structures: results suggest energetic minimisation at neutral [B<sub>27</sub>H<sub>21</sub>]. <p>

Title:Isolation and Structure of [(PPh3)3(PPh2)2Pd4B20H16]. A Possible Prognostic for New Globular Borane-Based Cluster Architectures
Creators:
Yao, Hai-Jun
hu, Chun-Hua
Sun, Jie
Jin, Ruo-Shui
Zheng, Pei-Ju
Bould, Jonathan
Greatrex, Robert
Kennedy, John D.
Ormsby, Daniel L.
Thornton-Pett, Mark
Uncontrolled Keywords:Palladium-boron clusters, <i>Ab initio</i> calculations, Large "megaloborane" polyhedral clusters, Boranes, X-Ray crystallography, Metallaboranes, NMR spectroscopy
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:6
Page Range:pp. 927-937
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19990927UNSPECIFIED
ID Code:1526
Item Type:Article
Deposited On:06 Feb 2009 17:10
Last Modified:06 Feb 2009 16:10

Citation

Yao, Hai-Jun; hu, Chun-Hua; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju; Bould, Jonathan; Greatrex, Robert; Kennedy, John D.; Ormsby, Daniel L.; Thornton-Pett, Mark (1999) Isolation and Structure of [(PPh3)3(PPh2)2Pd4B20H16]. A Possible Prognostic for New Globular Borane-Based Cluster Architectures. Collection of Czechoslovak Chemical Communications, 64 (6). pp. 927-937. ISSN 0010-0765

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