Breaking the disulfide chemical bond using high energy photons: the dimethyl disulfide and methyl propyl disulfide molecules
| Autor: | C. E. V. de Moura, Alexandre B. Rocha, Lautaro Javier Ramírez Varas, R. B. Bernini, Angélica Moreno Betancourt, G. G. B. de Souza, L. H. Coutinho |
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| Rok vydání: | 2017 |
| Předmět: |
Bio-molecules
010304 chemical physics Chemistry General Chemical Engineering DMDS PMDS Ionic bonding Mass Spectoscopy General Chemistry 010402 general chemistry Photochemistry Antibonding molecular orbital 01 natural sciences Dissociation (chemistry) Synchrotron 0104 chemical sciences NEXAFS chemistry.chemical_compound Chemical bond Fragmentation (mass spectrometry) Excited state 0103 physical sciences PEPIPICO Molecule Dimethyl disulfide |
| Zdroj: | RSC Adv., 2017, 7, 36525–36532 | 36525 Kérwá Universidad de Costa Rica instacron:UCR |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/c7ra05001a |
| Popis: | In order to study the stability of the disulfide chemical bond in molecules subjected to a flux of high energy photons, the ionic fragmentation of two molecules containing a disulfide chemical bond, dimethyl disulfide (DMDS) and methyl propyl disulfide (MPDS), has been studied following excitation around the S 1s edge (∼2470 eV). Synchrotron radiation and electron-ion coincidence techniques were used. The core excited states of DMDS and MPDS have also been theoretically investigated at the multiconfigurational self-consistent field (MCSCF) level and multireference perturbation theory. Deep core excitation (S 1s) induces multiple ionization and intense fragmentation of the molecules, as clearly demonstrated by the observation of cations such as S+, S2+ and S3+. Splitting of the S+ peak is observed in the mass spectra of the two molecules when they are excited to a resonant state with antibonding (S–S) character. Although fragments associated with the breakage of the disulfide bond (S+ and CHnS+) play a dominant role in the dissociation of the molecules, a fragment containing the disulfide chemical bond, S2+, survives, nevertheless, at all photon energies. Brazilian Synchrotron Light Facility//LNLS/Brasil Conselho Nacional de Desenvolvimento Científico e Tecnológico//CNPq/Brasil Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro//FAPERJ/Brasil Universidad de Costa Rica//UCR/Brasil UCR::Vicerrectoría de Docencia::Ingeniería::Facultad de Ingeniería::Escuela de Ingeniería Química |
| Databáze: | OpenAIRE |
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