Further ESR studies of the cyclic sulphur nitride radical S3N2+ with a Q-band spectrometer
✍ Scribed by K. M. Johnson; K. F. Preston; L. H. Sutcliffe
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 442 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
From measurements made with both Q-band and X-band ESR spectrometers on powder samples enriched in "S, it has proved possible to establish with improved precision the "S hypefine interaction tensors of the cyclic inorganic free radical 1,2,4,3,5trithiadiazolyl, e N ' . The best set of spectral parameters consistent with all of the data presently available is g = (2.0013, 2.0060, 2.0252), a(2"N) = (36.4, <0.5, ~0.5) MHz, ~(2''s) = (108.0, -15, -17.0) MHz and a(13'S) = (-37.0, 10, 2) MHz, where tensor components are in the order x, y , z and x is the direction perpendicular to the molecular plane. The anisotropic parts of the hyperfine tensors lead to estimates for the unpaired spin population in the atomic p, orbitals perpendicular to the atomic plane of 42% (2s): 15% (2N) and (-)16% (1s). A quadrupolar tensor e'Qq = (f32, T28, T4) MHz determined for the two equivalent 33S nuclei is consistent with the proposed electronic structure of the free radical.