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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

https://doi.org/10.1039/d1cp04286f

McFadden, Thomas M.; Moon, Nicole; Marshall, Frank E.; Duerden, Amanda J.; Ocola, Esther J.; Laane, Jaan; Guirgis, Gamil A.; Grubbs, G. S. (January 2022, Physical Chemistry Chemical Physics)

The molecules 1,1-difluorosilacyclopent-3-ene (3SiCPF 2 ) 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 3SiCPF 2 , 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 3SiCPF 2 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.
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A chirped pulse Fourier transform microwave spectrometer with multi-antenna detection

https://doi.org/10.1016/j.jms.2020.111396

Duerden, Amanda; Marshall, Frank E.; Moon, Nicole; Swanson, Christian; Donnell, Kristen M.; Grubbs II, G.S. (December 2020, Journal of Molecular Spectroscopy)
null (Ed.)
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Theoretical Calculations, Microwave Spectroscopy, and Ring-Puckering Vibrations of 1,1-Dihalosilacyclopent-2-enes

https://doi.org/10.1021/acs.jpca.0c07250

McFadden, Thomas M.; Marshall, Frank E.; Ocola, Esther J.; Laane, Jaan; Guirgis, Gamil A.; Grubbs, Garry S. (October 2020, The Journal of Physical Chemistry A)
null (Ed.)
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Dipole forbidden, nuclear electric quadrupole allowed transitions and chirality: The broadband microwave spectrum and structure of 2-bromo-1,1,1,2-tetrafluoroethane

https://doi.org/10.1016/j.molstruc.2020.128277

Isert, Joshua E.; Marshall, Frank E.; Bailey, William C.; Grubbs, G.S. (September 2020, Journal of Molecular Structure)

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The Conformational Landscape, Internal Rotation, and Structure of 1,3,5-Trisilapentane using Broadband Rotational Spectroscopy and Quantum Chemical Calculations

https://doi.org/10.1021/acs.jpca.0c01100

Jabri, Atef; Marshall, Frank E.; Tonks, William Raymond; Brenner, Reid E.; Gillcrist, David J.; Wurrey, Charles J.; Kleiner, Isabelle; Guirgis, Gamil A.; Grubbs, G. S. (May 2020, The Journal of Physical Chemistry A)

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High-resolution spectroscopy near the continuum limit: the microwave spectrum of trans -3-bromo-1,1,1,2,2-pentafluoropropane

https://doi.org/10.1080/00268976.2018.1547845

Marshall, Frank E.; Moon, Nicole; Persinger, Thomas D.; Gillcrist, David J.; Shreve, Nelson E.; Bailey, William C.; Grubbs II, G. S. (June 2018, Molecular Physics)

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