Abstract
Abstract Properties of molecular complexes formed between aliphatic amines with HF and F2, respectively, have been evaluated by the CNDO/2 method. In the amineHF hydrogen-bonded complexes the calculated properties (binding energy, amount of charge transferred, enhancement of dipole moment) are fairly constant in the series of systems studied. In the amineF2 charge transfer complexes the binding energy decreases and the amount of charge transferred slightly increases with the lowering of the amine's ionization potential. The results obtained are discussed in relation to the electronic structure of the complexes formed.
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 callMore From: Advances in Molecular Relaxation and Interaction Processes
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.
