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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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Asymmetrical linear structures including three-electron hemibonds or other interactions in the (ABA)-type triatomic cations: Ne3+, (He-Ne-He)+, (Ar-Ne-Ar)+, (Ar-O-Ar)+, (He-O-He)+, and (Ar-He-Ar)+.
TL;DR: Using the molecular-orbital theory, and the counterpoise geometry optimization at the level of CCSD(T)aug-cc-pVDZ, the asymmetrical linear structures with all the real frequencies were obtained for the triatomic cations of (ABA)+ type: Ne3+, (He-Ne-He)+.
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Intermolecular complexes between sulfide radical cations from β-hydroxy sulfides and phosphate
TL;DR: In this paper, triple-sensitized oxidation of 2-(methylthio)ethanol and photosensitized formaldehyde formation from 2-MTE were measured in aqueous solutions, and it was found that the lifetimes of (S∴S)+ radicals increased in the presence of phosphate buffer, sodium perchlorate, or D2O.
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Structure–reactivity studies on the nature of transients formed on reaction of ˙OH radicals with chloroiodoalkanes in aqueous solution
Hari Mohan,Jai P. Mittal +1 more
TL;DR: The transient optical absorption bands (λmax= 315 and 345 nm) formed on reaction of ˙OH radicals with 1-chloro-3-iodopropane in N2O-saturated neutral aqueous solutions have been assigned to an OH-adduct formed between iodine atom and ǫOH radicals (t½= 1.5 µs, Iµ350= 2.46 × 103 dm3 mol-1 cm-1).
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Spectral, kinetics, and redox properties of the transients formed on one‐electron oxidation of 4,4′‐thiodiphenol: A pulse radiolysis study
Hari Mohan,Jai P. Mittal +1 more
TL;DR: The transient absorption bands obtained on pulse radiolysis of N2O-saturated neutral aqueous solution of 4,4′-thiodiphenol (TDPH) are due to the reaction of TDPH with ·OH radicals and are assigned to phenoxyl radical formed on fast deprotonation of the solute radical cation.
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
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Stabilization of oxidized sulfur centers in organic sulfides. Radical cations and odd-electron sulfur-sulfur bonds
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Structures and stabilities of singly charged three-electron hemibonded systems and their hydrogen-bonded isomers
Peter M. W. Gill,Leo Radom +1 more