Heteroatom Chemistry · 1991 · 47 citations · 19 references
Natural SciencesChemistryComputational ChemistryOrganic ChemistryQuantum ChemistryAb Initio MethodsMolecular Orbital TheoryMolecular SymmetryAb Initio CalculationsAb Initio Molecular CalculationsConjugated MoleculesConjugationConjugation EffectsElectron-electron Interactionsπ Interactionsπ-π Interactions
Abstract Effets of p π p π conjugation in phosphaalkenes have been considered by taking into account the results of X‐ray structural studies and ab initio quantum‐chemical calculations. The structural consequences of the conjugation depend to a certain extent on the character of the substituent and the place of its attachment to the double PC bond. Depending on the location of the substituent, bond polarization may strengthen or weaken (compensate for) the conjugation effects. A high contribution of the s‐character of the lone electron pair of the P atom is an essential feature of the electron structure of a phosphaalkene.
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C.J.G. · Journal of Molecular Structure · 1980 · 418 citations
H. Bernhard Schlegel · The Journal of Chemical Physics · 1982 · 252 citations
Phosphaalkynes and phosphaalkenes
L. N. Markovski, V. D. ROMANENKO · Tetrahedron · 1989 · 148 citations