화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.109, No.33, 7594-7597, 2005
M5H5X (M = Ag, An, Pd, Pt; X = Si, Ge, P, S): Hydrometal pentagons with D-5h planar pentacoordinate nonmetal centers
A density functional theory investigation has been presented in this work on M5H5X hydrometal pentagons (M = Ag, Au, Pd, P) with D-5h planar pentacoordinate nonmetal centers (X = Si, Ge, P, S). The introduction of the nonmetal centers X introduces p aromaticity to M5H5X complexes. These novel planar complexes are favored in thermodynamics and confirmed to be aromatic in nature. They may be expanded to one, two, or even three dimensions with multiple planar pentacoordinate silicon and other nonmetal centers.