TY - JOUR
T1 - Gold-boron chemistry. Part 3. The synthesis, characterisation, and molecular structure of [(H11C6)3PAu] 2B8H10. Comments on the 'anomalous' structure of B8H12
AU - Wynd, Andrew J.
AU - Welch, Alan J.
PY - 1990
Y1 - 1990
N2 - The reaction between [AuMe{P(C6H11)3}] and B10H12(PPh3)2 yields an unexpected product, [(H11C6)3PAu]2B 8H10. This complex was identified by multinuclear n.m.r. spectroscopy, and by a single-crystal X-ray diffraction study. Four molecules of [(H11C6)3PAu]2B8H 10 and eight of water cocrystallise in space group C2/c with a = 1 7.506(7), b = 1 4.064(3), and c = 20.179(3) Å, and β = 105.012(22)°; R = 0.0469 for 2 512 observed data. The gold-borane complex has crystallographically imposed C2 molecular symmetry, the {Au 2B8H10} fragment having effective C 2v symmetry. The complex is described as an eight-vertex borane cluster with two μ3 gold phosphine units, and an analogy is drawn between the structure of [(H11C6)3PAu] 2B8H10 and that of B8H12, a species whose structure is anomalous in terms of established electron-counting rules. Molecular orbital calculations show that, given the structures they have, the observed electron counts for [(H11C 6)3PAu]2B8H10 and B 8H12 afford thermodynamically stable compounds.
AB - The reaction between [AuMe{P(C6H11)3}] and B10H12(PPh3)2 yields an unexpected product, [(H11C6)3PAu]2B 8H10. This complex was identified by multinuclear n.m.r. spectroscopy, and by a single-crystal X-ray diffraction study. Four molecules of [(H11C6)3PAu]2B8H 10 and eight of water cocrystallise in space group C2/c with a = 1 7.506(7), b = 1 4.064(3), and c = 20.179(3) Å, and β = 105.012(22)°; R = 0.0469 for 2 512 observed data. The gold-borane complex has crystallographically imposed C2 molecular symmetry, the {Au 2B8H10} fragment having effective C 2v symmetry. The complex is described as an eight-vertex borane cluster with two μ3 gold phosphine units, and an analogy is drawn between the structure of [(H11C6)3PAu] 2B8H10 and that of B8H12, a species whose structure is anomalous in terms of established electron-counting rules. Molecular orbital calculations show that, given the structures they have, the observed electron counts for [(H11C 6)3PAu]2B8H10 and B 8H12 afford thermodynamically stable compounds.
UR - http://www.scopus.com/inward/record.url?scp=37049090882&partnerID=8YFLogxK
U2 - 10.1039/DT9900002803
DO - 10.1039/DT9900002803
M3 - Article
AN - SCOPUS:37049090882
SN - 0300-9246
SP - 2803
EP - 2807
JO - Journal of the Chemical Society, Dalton Transactions
JF - Journal of the Chemical Society, Dalton Transactions
IS - 9
ER -