Infrared Photodissociation Spectroscopy of Heteronuclear Arsenic–Iron Carbonyl Cluster Anions

Abstract

Heteronuclear arsenic−iron carbonyl cluster anions As m Fe(CO) n − (m, n = 2, 3) have been generated in the gas phase and investigated by massselected infrared photodissociation spectroscopy and density functional theory calculations at the B3LYP/BP86/TPSS levels. All the As m Fe(CO) n − (m, n = 2, 3) cluster anions are determined to contain Fe(CO) n − fragments, which can be regarded as being formed by replacing one arsenic atom of the arsenic clusters As m+1 with the Fe(CO) n − group. Bonding analyses indicated that each As 2 Fe(CO) n − (n = 2, 3) cluster anion involves two Fe−As single bonds and one As−As double bond. Each As 3 Fe(CO) n − (n = 2, 3) cluster anion has three Fe−As single bonds and three As−As single bonds. The Fe(CO) 3− group with a 15electron configuration is valence isoelectronic to the As atom and can serve as a building block for forming heteronuclear arsenic−iron carbonyl clusters.

Computational Investigation on Adsorption and Activation of Atmospheric Pollutants CO, NO and SO on Small Cobalt Clusters

“…33 The properties of pure cobalt clusters have shown various intriguing properties which have been exploited by researchers of various domains. [34][35][36][37][38][39][40][41][42][43] Particularly, cobalt clusters are relevant because of their chemical reactivity, magnetic, electronic, and optical properties. [44][45][46] Lopez et al studied the adsorption of hydrogen on Con clusters theoretically.…”