Premium
Dipole moments of polyenic oligomeric systems. Part I. A one‐dimensional molecular wire model
Author(s) -
Morales Raul G. E.,
GonzalezRojas Claudio
Publication year - 1998
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/(sici)1099-1395(199812)11:12<853::aid-poc74>3.0.co;2-y
Subject(s) - chemistry , dipole , molecular wire , moment (physics) , acceptor , molecular orbital , electron , molecular physics , charge (physics) , ground state , computational chemistry , conjugated system , transition dipole moment , atomic physics , molecule , condensed matter physics , quantum mechanics , organic chemistry , physics , polymer
Ground‐state dipolar moments of oligomeric compounds, containing electron‐donor (D) and electron‐acceptor (A) groups as two terminal units of the polyenic bridge (D‐wire‐A), can well be described by means of a one‐dimensional molecular wire model, which considers a scattering process of electrons through the charge‐transfer conduction channel. The dipole moment of the oligomers ( μ n ) follows a non‐linear dependence of the polyenic bridge length ( L ) according to μ n = μ 0 + μ ∞ (1 − e − γ L ) where μ 0 is the dipole moment of the first compound of the series, without a polyenic unit ( n = 0), μ ∞ is a limit value for L → ∞ and γ is the one‐dimensional conduction constant of the π‐molecular orbital channel of the molecular wire. This model can be extended to all those conjugated oligomers of the D‐wire‐A type where the electronic charge of the donor group can induce a soliton wave as far as through the polyenic bridge towards the acceptor group. Copyright © 1998 John Wiley & Sons, Ltd.