The Microwave Spectrum Of The Low Energy Conformers Of 1-Ethylsilacyclopentane

Abstract

The microwave rotational spectrum of 1-ethylsilacyclopentane has been observed using chirped-pulse, Fourier transform microwave spectroscopy and has been reported for the first time. The lowest three energetic conformers were observed and fit to a Watson S semirigid Hamiltonian to within experimental accuracy. The quantum chemical calculations are all within ≈1% of the determined rotational constants, providing confidence that they are accurate representations of the experimental structure. Centrifugal distortion terms DJK and DK, although seemingly large, have been determined to be physically meaningful as no apparent evidence such as splittings in the spectrum or transition broadening was observed. A second moment analysis was undertaken and compared to similar silacyclopentanes, but it is not clear if this species follows previously determined trends.

Department(s)

Chemistry

Comments

National Science Foundation, Grant CHE-MRI-2019072

Keywords and Phrases

Conformational energy structures; CP-FTMW spectroscopy; Rotational spectroscopy

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 Jan 2024

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