A lone pair on a central atom significantly contributes to the molecular dipole moment vector
Lone pairs on central or heteroatoms introduce localized charge asymmetry that significantly influences the overall molecular dipole moment vector.
The retrieved literature confirms that non-bonding electrons and lone pairs contribute substantially to molecular dipole moments, charge distributions, and optical polarizabilities.
Edmund Fischer, Ivan Botskor. The Relative Orientation of the Total Dipole Moment in the N-cis Lone-Electron-Pair-Trans Isomer of Allylamine. 1980. https://doi.org/10.1515/zna-1980-0410
Analyzes the orientation of the total dipole moment with respect to lone-pair isomers in allylamine.
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Ibrahim M, Yousuf A, Qureshi MZ, Arshad M, Ali MA. Disentangling solvent effects on optical response via p-π and sp² lone-pair contributions in non-aromatic fused systems.. 2026. https://doi.org/10.1038/s41598-026-44846-1
Examines optical responses and dipole contributions driven by sp2 lone-pair donation in chalcogen systems.
da Silva RS. Designing Diaryl Sulfide Electronic Properties: A Comprehensive DFT Guide to HOMO-LUMO Gaps and Reactivity Descriptors.. 2026. https://doi.org/10.1021/acsomega.5c11432
Discusses how the electronic properties and dipole moments of diaryl sulfides are shaped by the interplay between aromatic pi-systems and lone pairs on sulfur.
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