화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.24, 5902-5905, 2001
Interaction of dihydrogen with gold (I) hydride: Prospects for matrix-isolation studies
Most discussions have described the AuH3 molecule as a T-shaped complex. A recent study showed that a nonclassical Au(eta (2)-H-2)H complex was more stable than the classical AuH3 "aurane" complex by roughly 30 kcal/mol. The present study shows that the nonclassical isomer is only loosely bound (DeltaE(dis) = 13.44 kcal/ mel) vs AuH and dihydrogen, and that: the dimerization of AuH3 units to a Au2H6 "diaurane" molecule is exothermic by roughly 20 kcal/mol. Additional data is provided which may prove useful for matrix-isolation experiments.