Abstract
Interactions of three simple Lewis bases (LB) of varying strength: H2O, NH3, and CH2O with Noble gas (Ng) cations He+, Ne+, Ar+, Kr+, Xe+ were studied using the MP2 and CCSD(T) methods. Ng+ and LBs react via two competing pathways, charge exchange reaction and cationic adduct formation. Two kinds of [Ng/LB]+ adducts were obtained after geometry optimization. In most cases, the hydrogen atoms of the LBs were the most favored sites for interactions with Ng+. Exceptions were observed for the [Xe/NH3]+, [Xe/H2O]+, and [Kr/H2O]+ systems in which interaction is via their N and O atoms. We showed that fluorination of the LBs increases their ionization energies, avoiding charge transfer, hence, F2O, NF3, and CF2O can act as LBs interacting with Ng+ via their O and N atoms. Using fluorination of the Lewis bases, the formation of [Kr/CF2O]+, [Kr/NF3]+, [Xe/CF2O]+, and [Xe/NF3]+ was more favorable than charge exchange reaction.
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.
