TY - JOUR
T1 - Aurophilicity as Concerted Effect
T2 - Relativistic MO Calculations on Carbon‐Centered Gold Clusters
AU - Rösch, Notker
AU - Görling, Andreas
AU - Ellis, Donald E.
AU - Schmidbaur, Hubert
PY - 1989/10
Y1 - 1989/10
N2 - Three features must be taken into consideration in discussing the bonding in carbon‐centered gold clusters: the tangential AuAu bonds, the radial bonds between Au and the central atom as well as between Au and the outer ligands, and the preference for 6s‐5d over 6s‐6p hybridization. Nonrelativistic and relativistic MO calculations revealed that the formally closed d10 shell of the Au⊕ ions in the cluster [(LAu)6C]2⊕ is increasingly disrupted by interaction with the other Au centers, the central atom, and the ligands L, thereby increasing the probability of AuAu interactions.
AB - Three features must be taken into consideration in discussing the bonding in carbon‐centered gold clusters: the tangential AuAu bonds, the radial bonds between Au and the central atom as well as between Au and the outer ligands, and the preference for 6s‐5d over 6s‐6p hybridization. Nonrelativistic and relativistic MO calculations revealed that the formally closed d10 shell of the Au⊕ ions in the cluster [(LAu)6C]2⊕ is increasingly disrupted by interaction with the other Au centers, the central atom, and the ligands L, thereby increasing the probability of AuAu interactions.
UR - https://www.scopus.com/pages/publications/84990107546
U2 - 10.1002/anie.198913571
DO - 10.1002/anie.198913571
M3 - Article
AN - SCOPUS:84990107546
SN - 0570-0833
VL - 28
SP - 1357
EP - 1359
JO - Angewandte Chemie International Edition in English
JF - Angewandte Chemie International Edition in English
IS - 10
ER -