The Structure and Conformation of (CH3)(3)CSNO

Canneva A, Erben MF, Romano RM, Vishnevskiy Y, Reuter C, Mitzel NW, Della Vedova CO (2015)
Chemistry - A European Journal 21(29): 10436-10442.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Canneva, Antonela; Erben, Mauricio F.; Romano, Rosana M.; Vishnevskiy, YuryUniBi; Reuter, ChristianUniBi; Mitzel, Norbert W.UniBi; Della Vedova, Carlos O.
Abstract / Bemerkung
The gas-phase molecular structure of (CH3)(3)CSNO was investigated by using electron diffraction, allowing the first experimental geometrical parameters for an S-nitrosothiol species to be elucidated. Depending on the orientation of the SNO group, two conformers (anti and syn) are identified in the vapor of (CH3)(3)CSNO at room temperature, the syn conformer being less abundant. The conformational landscape is further scrutinized by using vibrational spectroscopy techniques, including gas-phase and matrix-isolation IR spectroscopy, resulting in a contribution of ca. 80:20 for the anti:syn abundance ratio, in good agreement with the computed value at the MP2(full)/cc-pVTZ level of approximation. The UV/Vis and resonance Raman spectra also show the occurrence of the conformational equilibrium in the liquid phase, with a moderate post-resonance Raman signature associated with the 350nm electronic absorption.
S-nitrosothiols; resonance Raman spectroscopy; photochemistry; gas-phase electron diffraction; matrix IR spectroscopy
Chemistry - A European Journal
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Canneva A, Erben MF, Romano RM, et al. The Structure and Conformation of (CH3)(3)CSNO. Chemistry - A European Journal. 2015;21(29):10436-10442.
Canneva, A., Erben, M. F., Romano, R. M., Vishnevskiy, Y., Reuter, C., Mitzel, N. W., & Della Vedova, C. O. (2015). The Structure and Conformation of (CH3)(3)CSNO. Chemistry - A European Journal, 21(29), 10436-10442. doi:10.1002/chem.201500811
Canneva, A., Erben, M. F., Romano, R. M., Vishnevskiy, Y., Reuter, C., Mitzel, N. W., and Della Vedova, C. O. (2015). The Structure and Conformation of (CH3)(3)CSNO. Chemistry - A European Journal 21, 10436-10442.
Canneva, A., et al., 2015. The Structure and Conformation of (CH3)(3)CSNO. Chemistry - A European Journal, 21(29), p 10436-10442.
A. Canneva, et al., “The Structure and Conformation of (CH3)(3)CSNO”, Chemistry - A European Journal, vol. 21, 2015, pp. 10436-10442.
Canneva, A., Erben, M.F., Romano, R.M., Vishnevskiy, Y., Reuter, C., Mitzel, N.W., Della Vedova, C.O.: The Structure and Conformation of (CH3)(3)CSNO. Chemistry - A European Journal. 21, 10436-10442 (2015).
Canneva, Antonela, Erben, Mauricio F., Romano, Rosana M., Vishnevskiy, Yury, Reuter, Christian, Mitzel, Norbert W., and Della Vedova, Carlos O. “The Structure and Conformation of (CH3)(3)CSNO”. Chemistry - A European Journal 21.29 (2015): 10436-10442.

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Computational Structural Biology of S-nitrosylation of Cancer Targets.
Bignon E, Allega MF, Lucchetta M, Tiberti M, Papaleo E., Front Oncol 8(), 2018
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