Abstract
Ab initio calculations including electron correlation have been performed on the neutral species SiH 4·NH 3 and SiF 4·NH 3. The calculations involved complete optimization of all bonding parameters using second-order perturbation theory (MP2). Some of the energetics for the SiH 4·NH 3 adduct were computed at the optimized geometry using fourth-order perturbation theory (MP4). Both adducts are found to be bound, the silane adduct weakly and the silicon tetrafluoride adduct strongly. Full vibrational analyses have been carried out at the MP2 level of theory. Vibrational frequencies are reported for both adducts and compared to available matrix isolation data for the case of SiF 4·NH 3.
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.
