期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 121, 期 40, 页码 7565-7571出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.7b07628
关键词
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资金
- EPSRC
- St. John's College, Oxford
- EPSRC [EP/L005913]
- Engineering and Physical Sciences Research Council [1658046, 1380508, EP/L005913/1] Funding Source: researchfish
- EPSRC [EP/L005913/1] Funding Source: UKRI
Gas-phase metal ion-ligand complexes offer model environments to study molecular interactions that are key to many catalytic processes. Here, we present a combined experimental and computational study of M+(N2O)(n) [M = Cu, Ag, Au; n = 2-7] complexes. The spectra provide clear evidence for both nitrogen- and oxygen-bound ligands giving rise to a wide range of structural isomers for each complex studied. The evolution of the complex structures observed as well as spectral trends for each metal center are interpreted in terms of a molecular orbital binding picture and resulting calculated ligand binding energies. Given the environmental importance of nitrogen oxides, these results have implications for metal-catalyzed removal of nitrous oxide and, particularly, the prospect of initiating infrared-driven isomer-selective chemistry in Size-selected complexes.
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