Abstract
AbstractThe intermolecular hydrogen bonds in phenol–trimethylamine complexes were investigated by Bader Atom in Molecules (AIM) theory. The AIM parameters of the bond critical points (BCPs) of the O···H, N···H, and CO bonds as well as those of the phenol ring critical point (RCP) were analyzed as functions of the proton‐transfer degree. Transfer of the proton from donor to acceptor changes not only the electron density of the hydrogen bridge, but also the electron cloud in the proton donor. The differences between the proton donors in relation to their pKa values are seen in the systematic changes of the AIM parameters. Copyright © 2008 John Wiley & Sons, Ltd.
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.
