Reactions of laser-ablated rhodium and iridium atoms with nitric oxide in neon and argon.: Matrix infrared spectra and density functional calculations of Rh(NO)1-3, Ir(NO)1-3, NRhO, NIrO, RhNO+, and IrNO+

被引：11

作者：

Citra, A ^{[1
]}

Andrews, L ^{[1
]}

机构：

[1] Univ Virginia, Dept Chem, Charlottesville, VA 22901 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 51期

关键词：

D O I：

10.1021/jp0029919

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 rhodium and iridium atoms are reacted with nitric oxide and the products are isolated in solid neon and argon. Neutral nitrosyl complexes Rh(NO)(1-3) and Lr(NO)(1-3) are the main products, and weaker bands due to RhNO+, IrNO+, NRhO, and NIrO are also observed. DFT calculations for these products using the BPW91 and B3LYP functionals determine frequencies with the same accuracy found for other metal nitrosyls and are a useful predictive tool. The stretching frequencies observed for the isolated nitrosyls are close to those for analogous nitrosyl species on rhodium and iridium surfaces, which will aid in interpreting vibrational data for surface species.

引用

页码：11897 / 11908

页数：12

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