Abstract
To assess the role of the monomer polarizability in the course of electropolymerization reactions, an ab initio study of the influence of an intense electric field (10 9 V m −1) on the dipole moment and total atomic charges of HCN, CH 3CN, CH 2CHCN, CH 2C(CN) 2 and CH 2CHCCH has been developed at the STO-3G, 3-21G and 6-31 G* levels. The calculated polarizabilities of the three vinylic molecules are high, the induced dipole moment being 10% of the permanent one. The decrease of the atomic charge observed on the vinylic CH 2 group is insufficient for it to be solely responsible for the increase in its electrophilic character.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
