Synergistic and Diminutive Effects between Regium and Aerogen Bonds
Ruijing Wang, Zheng Wang, Xue-fang Yu, Qingzhong Li
Abstract
Abstract The aerogen bond is formed in complexes of HCN−XeF 2 O and C 2 H 4 −XeF 2 O. The lone pair on the N atom of HCN is a better electron donor in the aerogen bond than the π electron on the C=C bond of C 2 H 4 . The coinage substitution strengthens the aerogen bond in MCN−XeF 2 O (M=Cu, Ag, and Au) and its enhancing effect becomes larger in the Au<Cu<Ag pattern. The aerogen bond is further enhanced by the regium bond in C 2 H 2 −MCN−XeF 2 O and C 2 H 4 −MCN−XeF 2 O, but is weakened by the regium bond in MCN−C 2 H 4 −XeF 2 O and C 2 (CN) 4 −MCN−XeF 2 O. Simultaneously, the regium bond is also strengthened or weakened in these triads. The synergistic and diminutive effects between regium and aerogen bonds have been explained by means of charge transfer and electrostatic potentials.