Photoelectron Spectroscopy and Theoretical Studies on the Structures and Properties of GeC and GeCH Clusters.

We investigate the structures and properties of GeC and GeCH clusters using anion photoelectron spectroscopy and theoretical calculations. Our calculations show that the first two low-lying isomers coexist in the experiments of GeC and GeCH. The first two low-lying isomers of GeC have trigonal bipyramidal structures with the C atom on the equatorial plane and the top vertex, respectively. It is found that the first two low-lying isomers of GeCH can be obtained by adding an H atom to the top and equatorial C atoms of GeC, respectively. The AdNDP analyses reveal that the C atom in GeC forms one 4c-2e σ bond, two 4c-2e π bonds, and one 5c-2e σ bond with Ge atoms. The C atom in GeC interacts with an H forming a C-H σ bond in GeCH. AIMD simulation results indicate high dynamic stabilities of GeC and GeCH at 300 and 500 K. Our results show that the structures and chemical bonding of GeB and GeN are similar to those of GeC, while those of GeBH and GeNH resemble those of GeCH.