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Electron Spin Resonance Study of CH3CNSSN, C6H5CNSSN, and SNSSN+ Free Radicals

DOI: 10.1039/DT9860001465

Source and publish data:

Journal of the Chemical Society, Dalton Transactions p. 1465 - 1472 (1986)

Update date:2022-08-16

Topics:

Authors:

Fairhurst, Shirley A.Fairhurst, Shirley A.

Johnson, Karen M.Johnson, Karen M.

Sutcliffe, Leslie H.Sutcliffe, Leslie H.

Preston, Keith F.Preston, Keith F.

Banister, Arthur J.Banister, Arthur J.

et al.et al.

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Article abstract of DOI:10.1039/DT9860001465

Isotropic and powder e.s.r. spectra have been recorded for CH3C<*>NSSN<*>, C6H5C<*>NSSN<*>, and S<*>NSSN<*>+.Isotropic labelling with nitrogen-15 and sulphur-33 has been accomplished for S<*>NSSN<*>+ and it has been possible to prepare 33S<*>15N33S33S15N<*>+.Sulphur-33 satellites have been observed for C6H5C<*>NSSN<*>.MNDO and Gaussian 76 calculations have been used to calculate the minimum-energy structures of the radicals, while INDO calculations have provided values for the hyperfine coupling constants.Unfortunately, poor agreement was obtained between the latter and the corresponding experimental values.All the radicals dimerise in solution at low temperatures and we have been able to measure the energetics of dimerisation for C6H5C<*>NSSN<*> and S<*>NSSN<*>+.The dimers exist as crystalline solids which contain readily detectable amounts of the monomeric free radical.

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