Photoinduced linkage isomers in a model ruthenium nitrosyl complex: Identification and assignment of vibrational modes
نویسندگان
چکیده
Photoinduced NO-linkage isomers were investigated in the solid state of labelled trans-[Ru(14/15NO)(py4)F](ClO4)2 complex by combined IR-spectroscopy and DFT calculations. Based on experimental data calculations this isotopically 14/15NO nitrosyl compound, we present a complete assignment vibrational bands three linkage range from 4000 to 200 cm-1. The calculated IR-spectra match well with allowing reliable bands. structural change Ru-NO (GS) Ru-ON (MS1) Ru-η2-(NO) (MS2) configuration leads downshift ν(NO) ν(Ru-(NO)) bands, corresponding increase energy ν(Ru-F) band. shift corresponds Ru-(NO) Ru-F bond lengths: length decrease band; These observations can be extrapolated family related complexes therefore used for qualitative prediction Ru-Ltrans-to-NO lengths different framework one complex. While formation is reversible process, long-time irradiation sometimes induces irreversible reactions such as release NO. Here, show that photolysis KBr pellets may lead nitrous oxide N2O, conceivably through {Ru-(κ2-ONNO)} intermediate.
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The authors would like to explicitly acknowledge the exchange funding of a European Short Term Scientific Mission (STSM) between Austria and Switzerland, and therefore the amended Acknowledgments should read as follows: Financial support from the University of Vienna, the COST Action CM1305 ‘‘Explicit Control Over Spin-states in Technology and Biochemistry’’ (STSM 21153), the Research Council o...
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ژورنال
عنوان ژورنال: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
سال: 2021
ISSN: ['1386-1425', '1873-3557']
DOI: https://doi.org/10.1016/j.saa.2021.120217