Structural isomers and low-lying electronic states of gas-phase M + (N 2 O) n (M = Co, Rh, Ir) ion-molecule complexes

The structures of gas-phase group nine cation-nitrous oxide metal-ligand complexes, M (N O) (M = Co, Rh, Ir; n = 2-7) have been determined by a combination of infrared photodissociation spectroscopy and density functional theory. The infrared spectra were recorded in the region of the N O asymmetric...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2019-07, Vol.21 (26), p.13959-13967
Main Authors: Cunningham, Ethan M, Gentleman, Alexander S, Beardsmore, Peter W, Mackenzie, Stuart R
Format: Article
Language:English
Subjects:
Coordination compounds
Density functional theory
Electron states
Infrared spectra
Isomers
Ligands
Nitrous oxide
Organic chemistry
Photodissociation
Potential energy
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Summary:The structures of gas-phase group nine cation-nitrous oxide metal-ligand complexes, M (N O) (M = Co, Rh, Ir; n = 2-7) have been determined by a combination of infrared photodissociation spectroscopy and density functional theory. The infrared spectra were recorded in the region of the N O asymmetric (N[double bond, length as m-dash]N) stretch using the inert messenger technique and show spectroscopically distinct features for N- and O-bound isomers. The evolution of the spectra with increasing ligand number is qualitatively different for each of the metal ions studied here with only Co (N O) complexes behaving similarly to the coinage metal complexes studied previously. The rich variety of electronic and isomeric structures identified make these species attractive targets for infrared-driven, isomer selective intra-complex chemistry.
ISSN:1463-9076
1463-9084
DOI:10.1039/c8cp05995k