Abstract
Large basis set gaussian orbital SCF-MO calculations are presented for the hydrogen-bonded complexes formed between HNC, HCP, FCN, ClCN and BrCN with HF, HCl and HBr. Calculated equilibrium geometries, hydrogen bond energies and various 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.
Published Version
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.
