The Molecular Structure and Curious Motions in 1,1-Difluorosilacyclopent-3-ene and Silacyclopent-3-ene as Determined by Microwave Spectroscopy and Quantum Chemical Calculations

Abstract

The molecules 1,1-difluorosilacyclopent-3-ene (3SiCPF2) and silacyclopent-3-ene (3SiCP) have been synthesized and studied using chirped pulse, Fourier transform microwave (CP-FTMW) spectroscopy. For 3SiCP this is the first ever microwave study of the molecule and, for 3SiCPF2, the spectra reported in this work have been combined with that of previous work in a global fit. The spectra of each contain splitting which has been fit using a Hamiltonian consisting of semirigid and Coriolis coupling parameters. A refit of the original 3SiCPF2 work was also carried out. All fits and approaches are reported. Analyses of the spectra provide evidence that the molecule is planar which is in agreement with the high-level calculations, but the source of the splitting in the spectra has not been determined.

Department(s)

Chemistry

Comments

For GSGII, this material is based upon work supported by the National Science Foundation under Grant no. CHE-1841346 and CHE-MRI-2019072.

International Standard Serial Number (ISSN)

1463-9084

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2022 Royal Society of Chemistry, All rights reserved.

Publication Date

26 Jan 2022

PubMed ID

35022647

Link to Full Text

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