Synthesis andMolecular Structure of [10-endo-(Ph3PAu)-7,8-nido-C2B9H11]: Structural Patterns in [C2B9H11X]Anions (X = H+, AuPPh3+, CuPPh3+)

Ewan J. M. Hamilton, Alan J. Welch

Research output: Contribution to journalArticle

Abstract

Reaction of equimolar amounts of Tl[TlC2B9H11], Ph3PAuCl and [PhCH2 NMe3]Cl affords the compound [PhCH2NMe3][Ph3PAuC 2B9H11]. A single crystal X-ray diffraction study of this (as the CH2Cl2 solvate) reveals that the {Ph3PAu} fragment is essentially endo-σ-bonded to B(10), in a similar manner to the endo- H atom in [7,8-nido-C2B9H12]-. In the title compound the gold atom is slipped towards B(10) by 0.87 Å from a position above the centre of the C2B3 carbaborane face. This parameter, together with <B Bfacial>, <BCfacial> and CC, is discussed in relation to the corresponding parameters in [7,8-nido-C2B9H12]- and [3-PPh3-3,1,2-CuC2B9H11]-. The structural patterns thus revealed are traced to differing degrees of depopulation of the occupied π-molecular orbitals of [7,8-nido-C2B9H11]2-. Crystals of [PhCH2NMe3] [10-endo-(Ph3PAu)-7,8-nido-C2B9H11] · CH2Cl2 are monoclinic, space group P21/c, with a = 9.5509(17), b = 19.232(3), c = 19.813(3) Å, β = 90.741(13)°. Using 4667 observed reflections the structure has been refined to R = 0.0487.

Original languageEnglish
Pages (from-to)2407-2412
Number of pages6
JournalPolyhedron
Volume9
Issue number19
DOIs
Publication statusPublished - 1990

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Fingerprint Dive into the research topics of 'Synthesis andMolecular Structure of [10-<i>endo</i>-(Ph<sub>3</sub>PAu)-7,8-<i>nido</i>-C<sub>2</sub>B<sub>9</sub>H<sub>11</sub>]<sup>–</sup>: Structural Patterns in [C<sub>2</sub>B<sub>9</sub>H<sub>11</sub>X]<sup>–</sup>Anions (X = H<sup>+</sup>, AuPPh<sub>3</sub><sup>+</sup>, CuPPh<sub>3</sub><sup>+</sup>)'. Together they form a unique fingerprint.

Cite this