Rotational Spectroscopy, Quadrupole Coupling and Unusual Quartic Centrifugal Distortion Constants of 1,1-dichloro-1-silacyclopent-2-ene

Abstract

The ground state rotational spectrum of 1,1-dichloro-1-silacyclopent-2-ene has been recorded using chirped-pulse Fourier transform microwave spectroscopy. A planar ring-structure in the ground vibrational state is supported by the rotational spectrum, but particularly by the analysis of the sometimes-complicated hyperfine splitting and isotopic substitution. Furthermore, fitting the rotational spectrum to a Watson S-reduced Hamiltonian in the Ir representation yields a negative value of DJ, which is in agreement with quantum chemical calculation. In addition, the quadrupole coupling is considered and some structural information is presented — both compare well to expectations from other related systems and quantum chemical calculation.

Department(s)

Chemistry

Comments

National Science Foundation, Grant CHE-MRI-2019072

Keywords and Phrases

Chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy; Hyperfine splitting; Isotopic substitution; Quartic centrifugal distortion constants

International Standard Serial Number (ISSN)

1096-083X; 0022-2852

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2025 Elsevier, All rights reserved.

Publication Date

01 Dec 2025

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