Book ChapterDOI
Sulfur-Centered Three-Electron Bonded Radical Species
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In this article, it was shown that if one of the antibonding σ* electrons is removed, the electronic σ/σ* configuration would be a slight repulsion of the two atoms.Abstract:
We all know that it is not possible to stabilize a He2 molecule. Any interaction of the filled He is orbitals would lead to the establishment of bonding a and antibonding σ* energy levels, both doubly occupied. As σ*, for quantum mechanical reasons, is raised a little bit more than σ is lowered relative to the original atomic energy levels the net result of this electronic σ/σ* configuration would be a slight repulsion of the two atoms. The situation becomes significantly different though if one of the antibonding σ* electrons is removed.
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Citations
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Book ChapterDOI
Ultrafast Electron and Proton Reactivity in Molecular Liquids
TL;DR: The understanding of chemical reactions at the microscopic level correspond to fundamental challenges for the physical-chemistry and the biophysics as discussed by the authors, where the elementary steps of a reaction often correspond to very short-lived transitional states between reactants and products.
Journal ArticleDOI
Purple Fibrils: A New Type of Protein Chromophore
Tatiana Quiñones-Ruiz,Manuel F. Rosario-Alomar,Karina Ruiz-Esteves,Maruda Shanmugasundaram,Vladimir M. Grigoryants,Charles P. Scholes,Juan López-Garriga,Igor K. Lednev +7 more
TL;DR: A purple color is formed during the fibrillation of lysozyme, a well-studied protein lacking a prosthetic group, which indicates the formation of a sulfur∴π-bonded radical cation due to the methionine-phenylalanine interaction, which is consistent with a small molecule model reported in the literature.
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Photo- and Radiation-Induced One-Electron Oxidation of Methionine in Various Structural Environments Studied by Time-Resolved Techniques
TL;DR: In this paper , the authors present various factors that influence the character of the forming intermediates of methionine (Met) in one-electron oxidant reactions and discuss the importance of these factors in real biological systems.
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Role of hemibonding in the structure and ultraviolet spectroscopy of the aqueous hydroxyl radical.
Bhaskar Rana,John M. Herbert +1 more
TL;DR: Although not yet sufficient to quantitatively establish the population of hemibonded ˙OH(aq), these simulations do suggest that its presence is revealed by the strongly shifted ultraviolet absorption spectrum of the aqueous radical.
Journal ArticleDOI
Transient Raman spectra, structure, and thermochemistry of the thiocyanate dimer radical anion in water.
TL;DR: The Stokes and anti-Stokes Raman frequencies were found to be identical within the experimental uncertainty, suggesting that the frequency difference between the thermally relaxed and spontaneously created vibrational states of (SCN)2•- in water is too small to be observable.
References
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An electrically neutral .sigma.-sulfuranyl radical from the homolysis of a perester with neighboring sulfenyl sulfur: 9-S-3 species
Journal ArticleDOI
Stabilization of oxidized sulfur centers in organic sulfides. Radical cations and odd-electron sulfur-sulfur bonds
Journal ArticleDOI
Structures and stabilities of singly charged three-electron hemibonded systems and their hydrogen-bonded isomers
Peter M. W. Gill,Leo Radom +1 more