Spatial ring current models for the phospholemolecule and its arsenic parent have been constructed.Diatropism of thesemolecules is quite peculiarand fundamentally different from that of benzene asshown by stagnation graphs of current density field.Maps of shielding density are helpful for interpreting theeffect of electronic currents on nuclear shielding. Constrainedplanarity increases the degree of diatropicityquantitatively specified by magnetic descriptors, whichimplies that ring currents go together with π-electrondistortivity.
Magnetotropicity of phosphole and its arsenic analogue / S., Pelloni; Lazzeretti, Paolo. - In: THEORETICAL CHEMISTRY ACCOUNTS. - ISSN 1432-881X. - STAMPA. - 118:1(2007), pp. 89-97. [10.1007/s00214-007-0247-0]
Magnetotropicity of phosphole and its arsenic analogue
LAZZERETTI, Paolo
2007
Abstract
Spatial ring current models for the phospholemolecule and its arsenic parent have been constructed.Diatropism of thesemolecules is quite peculiarand fundamentally different from that of benzene asshown by stagnation graphs of current density field.Maps of shielding density are helpful for interpreting theeffect of electronic currents on nuclear shielding. Constrainedplanarity increases the degree of diatropicityquantitatively specified by magnetic descriptors, whichimplies that ring currents go together with π-electrondistortivity.
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