Mechanism of Delocalization of σ-Electrons from Bonds to Bonds. Conformationally Dependent Delocalization between Geminal Bonds in Antiperiplanar Effects
نویسندگان
چکیده
منابع مشابه
Covalent Character of Hydrogen Bonds Enhanced by π-Electron Delocalization*
Interactions classified as intermolecular resonance assisted hydrogen bonds (RAHBs) are analyzed here. Hence the MP2/6-311++G(d,p) calculations for dimers of formic, acetic and pyrrole-2carboxylic acid (PCA) were performed. The similar calculations were carried out for formamide and its fluorine derivatives’ dimers as well as the tautomeric forms of the latter species. The Quantum theory of Ato...
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Ab initio MP2/aug'-cc-pVTZ calculations have been carried out to investigate the structures, binding energies, and bonding characteristics of binary complexes HFBe:FCl, R2Be:FCl, and FCl:N-base, and of ternary complexes HFBe:FCl:N-base and R2Be:FCl:N-base for R = H, F, Cl; N-base = NH3, NHCH2, NCH. Dramatic synergistic cooperative effects have been found between the Be···F beryllium bonds and t...
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ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1990
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.63.1098