Experimental and theoretical evidence for the formation of zinc tricarbonyl in solid argon |
| |
Authors: | Jiang Ling Xu Qiang |
| |
Institution: | National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan. |
| |
Abstract: | Zinc carbonyls are extremely rare. Here we report experimental and theoretical evidence of unprecedented zinc tricarbonyl, Zn(CO)3, the next member of the series of 18-electron metal carbonyls Cr(CO)6 --> Fe(CO)5 --> Ni(CO)4, whereas there is no evidence for the formation of the zinc mono- and dicarbonyls Zn(CO)n (n = 1, 2). DFT calculations predict that the Zn(CO)3 molecule has a singlet ground state with D3h symmetry. The formation of Zn(CO)3 involves 4s --> 4p promotion of the Zn atom, which increases the Zn-CO bonding by decreasing the sigma repulsion and significantly increasing the Zn 4sp hybrid orbitals --> CO pi* back-donation. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|