Matrix infrared spectra and density functional calculations of manganese and rhenium carbonyl neutral and anion complexes

被引:31
作者
Andrews, L [1 ]
Zhou, MF
Wang, XF
Bauschlicher, CW
机构
[1] Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA
[2] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA
关键词
D O I
10.1021/jp001943l
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 Mn and Re atoms and electrons react with CO upon co-condensation in excess argon and neon to produce carbonyl neutrals and anions. These species are identified through isotopic substitution, CCl4 doping to trap ablated electrons, and density functional theory isotopic frequency calculations. MnCO is identified at 1933.6 cm(-1) in argon and at 1950.7 cm(-1) in neon, which are in agreement with the gas phase 1955 +/- 15 cm(-1) photoelectron measurement. MnCO- is found at 1789.4 cm(-1) in argon and 1807.5 cm(-1) in neon. The Mn(CO)(2) and Re(CO)(2) dicarbonyls are major product absorptions. Annealing to allow further reaction of CO produces higher carbonyls including Mn-2(CO)(10) and Re-2(CO)(10) in solid argon. Argon and neon matrix experiments are compared for both metals.
引用
收藏
页码:8887 / 8897
页数:11
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