Reactions of laser-ablated Ni, Pd, and Pt atoms with carbon monoxide:: Matrix infrared spectra and density functional calculations on M(CO)n (n=1-4), M(CO)n- (n=1-3), and M(CO)n+ (n=1-2), (M = Ni, Pd, Pt)

被引:101
作者
Liang, BY [1 ]
Zhon, MF [1 ]
Andrews, L [1 ]
机构
[1] Univ Virginia, Dept Chem, Charlottesville, VA 22901 USA
关键词
D O I
10.1021/jp993646q
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Laser-ablated Ni, Pd, and Pt atoms have been reacted with CO molecules followed by condensation in excess neon at 4 K. Besides the neutral metal carbonyl Species, metal carbonyl anions [M(CO)(n)(-) (n = 1-3)] and cations [Ni(CO)(n)(+) (n = 1-4), Pd(CO)(n)(+) (n = 1,2), and Pt(CO)(n)(+) (n = 1-3)] have been produced and identified. Doping with the CCl4 electron trap increases cation and decreases anion absorptions and confirms the identification of the ionic species. The excellent agreement between observed bands and frequencies and isotopic frequency ratios from the DFT calculations supports the vibrational assignments and the identification of these metal carbonyl complexes.
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页码:3905 / 3914
页数:10
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