화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.124, No.6, 1158-1166, 2020
Infrared Photodissociation Spectroscopy of Heteronuclear Arsenic-Iron Carbonyl Cluster Anions
Heteronuclear arsenic-iron carbonyl cluster anions AsmFe(CO)(n)(-) (m, n = 2, 3) have been generated in the gas phase and investigated by mass-selected infrared photodissociation spectroscopy and density functional theory calculations at the B3LYP/BP86/TPSS levels. All the AsmFe(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 Asm+1 with the Fe(CO)(n)(-) group. Bonding analyses indicated that each As2Fe(CO)(n)(-) (n = 2, 3) cluster anion involves two Fe-As single bonds and one As-As double bond. Each As3Fe(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 15-electron configuration is valence isoelectronic to the As atom and can serve as a building block for forming heteronuclear arsenic-iron carbonyl clusters.