Analysis of the rotation-vibration-inversion infrared spectrum of the ν10 and ν14 bands of silacyclobutane

Simple item page
dc.contributor.authorChen, Ziqiu
dc.contributor.authorvan Wijngaarden, Jennifer
dc.date.accessioned2021-12-14T21:52:07Z
dc.date.available2021-12-14T21:52:07Z
dc.date.issued2014-11-20
dc.date.submitted2021-10-25T21:37:15Zen_US
dc.description.abstractFourier transform spectra of the four-membered heterocycle silacyclobutane (c-C3H8Si)(SCB) were recorded in the infrared region from 500 to 800cm−1 with a resolution of 0.000959cm−1 using synchrotron radiation from the Canadian Light Source. Two fundamental bands observed in this region have been rotationally analyzed. These correspond to motions best described as the in-plane ring deformation mode (ν10) at ∼543cm−1 and the α-CH2 rocking mode (ν14) at ∼737cm−1. Both bands exhibit complex, dense spectral patterns that arise from ring inversion tunnelling of the puckered SCB ring through a planar (C2v) intermediate configuration. Analysis of these patterns revealed rotation-vibration transitions between states of the same inversion symmetry for the ν10 mode as well as rotation-vibration-inversion transitions that connect states of different inversion symmetry. Only rotation-vibration-inversion transitions are observed in the ν14 band due to symmetry as the vibration (A2) is IR forbidden. In total, 12371 infrared transitions were assigned for the ring deformation and α-CH2 rocking bands and combined with those from analysis of the ring puckering (158cm−1) and SiH2 rocking modes (410cm−1) (Chen and van Wijngaarden, 2013). A 10 state fit was performed from the resulting data set containing 20626 rotation-vibration-inversion transitions and provided accurate band centres, ring inversion splittings, rotational and centrifugal distortion constants for the lowest energy states of the dynamic silacyclobutane ring.en_US
dc.description.sponsorshipNSERC RGPIN/0653-2016en_US
dc.identifier.citationChen, Z.; van Wijngaarden, J. Analysis of the rotation-vibration-inversion infrared spectrum of the ν10 and ν14 bands of silacyclobutane. J. Mol. Spectrosc. 2015, 307, 10-17.en_US
dc.identifier.doi10.1016/j.jms.2014.11.003
dc.identifier.urihttp://hdl.handle.net/1993/36142
dc.language.isoengen_US
dc.publisherJournal of Molecular Spectroscopyen_US
dc.rightsopen accessen_US
dc.subjectrovibrational spectroscopyen_US
dc.subjectring inversionen_US
dc.subjectring puckeringen_US
dc.subjectSynchrotronen_US
dc.subjectsilacyclobutaneen_US
dc.titleAnalysis of the rotation-vibration-inversion infrared spectrum of the ν10 and ν14 bands of silacyclobutaneen_US
dc.typePreprinten_US
local.author.affiliationFaculty of Scienceen_US
Files
Original bundle
Now showing 1 - 2 of 2
Thumbnail Image
Name:
SCB-JMS-2015-Jan.pdf
Size:
1.34 MB
Format:
Adobe Portable Document Format
Description:
Main article
Download
Thumbnail Image
Name:
SCB-JMS-SI-2015-Jan.txt
Size:
289.81 KB
Format:
Plain Text
Description:
Supporting Information
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
2.24 KB
Format:
Item-specific license agreed to upon submission
Description:
Download
Collections
University of Manitoba Scholarship
Faculty of Science Scholarly Works