TY - JOUR
T1 - When does gold behave as a halogen? Predicted uranium tetraauride and other MAu4 tetrahedral species, (M = Ti, Zr, Hf, Th)
AU - Gagliardi, Laura
PY - 2003/6/25
Y1 - 2003/6/25
N2 - Quantum chemical calculations suggest that a series of molecules with the general formula MAu4 are stable, where M = U, Th, and a group-4 atom. They correspond to Au in the formal valence state -1 and indicate that gold can act as a ligand similar to the halogen series. Of the MAu4 species studied, UAu4, the first predicted mixed gold uranium compound, has a short M-Au bond distance, 2.71 Å, which would locate Au between Br and I from the bond length point of view in the U-tetrahalide series. Energetically, the U-Au bond is weaker than the corresponding U-Br and U-I bonds.
AB - Quantum chemical calculations suggest that a series of molecules with the general formula MAu4 are stable, where M = U, Th, and a group-4 atom. They correspond to Au in the formal valence state -1 and indicate that gold can act as a ligand similar to the halogen series. Of the MAu4 species studied, UAu4, the first predicted mixed gold uranium compound, has a short M-Au bond distance, 2.71 Å, which would locate Au between Br and I from the bond length point of view in the U-tetrahalide series. Energetically, the U-Au bond is weaker than the corresponding U-Br and U-I bonds.
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U2 - 10.1021/ja035385a
DO - 10.1021/ja035385a
M3 - Article
C2 - 12812476
AN - SCOPUS:0037870664
SN - 0002-7863
VL - 125
SP - 7504
EP - 7505
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 25
ER -