Gold hydride

Wang, X. and Andrews, L. (2002) Infrared Spectra and DFT Calculations for the Gold Hydrides AuH, (H2)AuH, and the AuHs Transition State Stabilized in (H2) AuHs. The Journal of Physical Chemistry A, 106, 3744-3748. 

G. L. Malli and N. C. Pyper, Proc. R. Soc. Lond A, 407, 377 (1986). Ab Initio Fully Relativistic Calculations Bonding in Gold Hydride. 

A reaction mechanism involving the formation of a gold hydride intermediate was tentatively suggested, in analogy with mechanisms known to operate for soluble platinum group metal catalysts such as those of palladium or rhodium phosphine hydride complexes.47... 

Table I. Total SCF and Cl Energies Calculated with Various Basis Sets for Gold Hydride (au) ...

Ibble 3.5 Bond length Re (A), vibrational constant binding energy De (eV) of gold hydride AuH at the Hartree-Fock level obtained with different pseudopotentials and all-electron (AE) approaches (Seth and Schwerdtfeger 2000). The parentheses following the acronym PP denote die reference data and the number of valence electrons for the Au PP. 

Table 1 Equilibrium Bond Length (A) and Dissociation Energy (eV) for Gold Hydride...

U. Kaldor and B. A. Hess, Ghent. Phys. Lett., 230, 1 (1994). Relativistic All-Electron Coupled-Cluster Calculations on the Gold Atom and Gold Hydride in the Framework of the Douglas-Kroll Transformation. 

A. Pizio, G. Jansen, B. A. Hess, and W. von Niessen, /. Chem. Phys., 98, 3945 (1993). Ionization Potential and Electron Affinity of the Gold Atom and the Gold Hydride (AuH) Molecule by All-Electron, Relativistic, Configuration-Interaction and Propagator Techniques. 

Kaldor, U., Hess, B.A. Relativistic all-electron coupled-cluster calculations on the gold atom and gold hydride in the framework of the Douglas-Kroll transformation. Chem. Phys. Lett. 230, 1-7 (1994)... 

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