High-resolution infrared studies of perdeutero-spiropentane, C₅D₈ Public Deposited

http://ir.library.oregonstate.edu/concern/undergraduate_thesis_or_projects/qn59q5462

Descriptions

Attribute NameValues
Creator
Abstract or Summary
  • Perdeutero-spiropentane (C₅D₈) has been synthesized and infrared and Raman spectra are reported for the first time. Wavenumber assignments are made for most of the fundamental vibrational modes. Gas phase infrared spectra were recorded at a resolution (0.002 cm⁻¹) sufficient to resolve individual rovibrational lines and show evidence of strong Coriolis and/or Fermi resonance interactions for most bands. However a detailed rovibrational analysis of the fundamental ν₁₅ (b₂) parallel band proved possible and a fit of more than 1600 lines yielded a band origin of 1053.84465(10) cm⁻¹ and ground state constants (in units of cm⁻¹): B0 = 0.1120700(9), DJ = 1.51(3) x10⁻⁸, DJK = 3.42(15) x10⁻⁸. We note that the B0 value is significantly less than a value of Ba = 0.1140 cm⁻¹ calculated using structural parameters from an earlier electron diffraction (ED) study, whereas one expects Ba to be lower than B0 because of thermal averaging over higher vibrational levels. A similar discrepancy was noted in an earlier study of C₅H₈ [1]. The structural and spectroscopic results are in good accord with values computed at the anharmonic level using the B3LYP density functional method with a cc-pVTZ basis set.
Resource Type
Date Available
Date Copyright
Date Issued
Degree Level
Degree Name
Advisor
Keyword
Rights Statement
Funding Statement (additional comments about funding)
Language
Replaces
Additional Information
  • description.provenance : Approved for entry into archive by Patricia Black(patricia.black@oregonstate.edu) on 2016-06-02T15:36:06Z (GMT) No. of bitstreams: 1 EricksonBlakeA2016.pdf: 1084073 bytes, checksum: 37212a1c1566b51fc808ebfe03bf33d8 (MD5)
  • description.provenance : Submitted by Blake Erickson (ericksbl@oregonstate.edu) on 2016-06-01T20:55:54Z No. of bitstreams: 1 EricksonBlakeA2016.pdf: 1084073 bytes, checksum: 37212a1c1566b51fc808ebfe03bf33d8 (MD5)
  • description.provenance : Made available in DSpace on 2016-06-02T15:36:06Z (GMT). No. of bitstreams: 1 EricksonBlakeA2016.pdf: 1084073 bytes, checksum: 37212a1c1566b51fc808ebfe03bf33d8 (MD5)

Relationships

In Administrative Set:
Last modified: 07/25/2017 Default
Citations:

EndNote | Zotero | Mendeley

Items