Abstract
The perturbation induced by the Zn2+ and Hg2+ ions on the methanol hydrogen bond patterns has been investigated by means of Molecular dynamics simulations. The methanol structure in the ion second coordination shell has been found to be significantly altered by the presence of both ions, the structuring ability being larger for Zn2+. Remarkable modifications of the hydrogen bond structure and dynamics have been evidenced, and peculiar networks of hydrogen bonds have been highlighted where the methanol molecules act as a bridge between the ion first shell complex and the bulk solvent.
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.
