## Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

990900.pptx (3MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

2700.pdf (19kB)
AbstractPDF

## Description

 Title: TUNNELING EFFECTS AND CONFORMATION DETERMINATION OF THE POLAR FORMS OF 1,3,5-TRISILAPENTANE Author(s): Marshall, Frank E Contributor(s): Grubbs II, G. S.; Guirgis, Gamil A; Wurrey, Charles J.; Gillcrist, David Joseph; Tonks, William Raymond Neal Subject(s): Large amplitude motions, internal rotation Abstract: 1,3,5-trisilapentane has been synthesized and studied in the microwave region for the first time using CP-FTMW spectroscopy. The lowest calculated energy structure, $C_2$ is essentially non-polar with a calculated dipole of 0.063 D. However, slightly higher in energy at 145 cm$^{-1}$ and 196 cm$^{-1}$ are the calculated energies for the $C_1$ and $C_{2v}$ conformations, respectively. These structures have much larger dipoles calculated at 1.07 D for $C_1$ and 4.88 D for $C_{2v}$. Both of these structures have been confirmed using experiment and the details of such analysis will be discussed._x000d_ _x000d_ In addition to the structure determination, 1,3,5-trisilapentane has two terminal -SiH$_3$ groups. The calculated barrier to internal rotation of these groups are calculated to be 327.5 cm$^{-1}$ for $C_{2v}$ and 343.2 cm$^{-1}$ for $C_1$. This barrier is low enough to exhibit internal rotation splitting in the spectra and treatment of these motions in the analysis will be discussed. Issue Date: 6/20/2017 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/97054 DOI: 10.15278/isms.2017.TI09 Date Available in IDEALS: 2017-07-272018-01-29
﻿