Long range couplings of CḢ2S–SCH3 radicals trapped in dimethyldisulfide single crystals
- 1 January 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (1), 10-12
- https://doi.org/10.1063/1.442765
Abstract
The main radical produced in single crystals of dimethyldisulfide by irradiation with γ rays at 77 K and bleaching by daylight is CḢ2SSCH3. The coupling tensors of the protons have been determined. It arises from the experimental results that the electronic configuration about the radical center is planar. There is an unusually large spin density on the HCH3 protons coming from a delocalization of the unpaired spin density over S–S bond. Fair agreement is found between ab initio UHFMO calculations and experiment.Keywords
This publication has 4 references indexed in Scilit:
- Esr and structure of sulfur-centered radicals and radical ions. γ-Irradiated dimethyl disulfide and methane thiol single crystals at 77°kChemical Physics, 1974
- Conformational dependence of the electronic energy levels in disulfidesJournal of the American Chemical Society, 1972
- Paramagnetic Resonance in L-Cysteine Hydrochloride Irradiated at 77°KThe Journal of Chemical Physics, 1965
- The crystal structure of hexagonal L -cystineActa Crystallographica, 1959