Abstract

Large basis set Gaussian orbital SCF-MO calculations are present for the title molecules. Calculated equilibrium geometries, hydrogen bond energies and one-electron properties are given to supplement available experimental data. Changes in electron distribution on complex formation are discussed in terms of Mulliken population analysis indices.

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 call

Disclaimer: 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.