Rotational Spectroscopy and Structure of 1,1-Dichloro-1-Silacyclohex-2-Ene

Abstract

The ground state rotational spectrum of 1,1-dichloro-1-silacyclohex-2-ene has been recorded using a chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. Several isotopologues in their natural abundances have been observed in the free-jet expansion, and their spectra assigned, making it possible to present a partial heavy-atom substitution structure. Furthermore, the high resolution of this technique allows the complicated hyperfine splitting pattern to be largely deconvoluted. As a result, the on-diagonal nuclear quadrupole coupling constants for the two chlorine atoms have been determined for all observed isotopologues. Additionally, χbc is determined for both chlorine atoms of the parent species. The quadrupole coupling tensors for the parent species have been diagonalised, noting some assumptions have been made pertaining to the off-diagonal nuclear quadrupole coupling constants in the principal axis system, to yield reasonable values of χzz and η which are then compared.

Department(s)

Chemistry

Comments

National Science Foundation, Grant CHE-MRI-2019072

Keywords and Phrases

Chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy; Hyperfine splitting; Isotopologues; Rotational spectroscopy; Silicon-containing species

International Standard Serial Number (ISSN)

1096-083X; 0022-2852

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2024 Elsevier, All rights reserved.

Publication Date

01 Sep 2024

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