A reinvestigation of the molecular structure of cyclohexane-1,4-dione by electron diffraction Public Deposited

http://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/8w32r782c

Descriptions

Attribute NameValues
Creator
Abstract or Summary
  • We have investigated the gaseous structure of cyclohexane- 1,4-dione via electron diffraction. The large amplitude motion, as suggested from spectroscopic, dipole moment and earlier electron diffraction data was studied. The structure was refined in two types of models: a single "distorted boat" conformer, and a model comprised of a superposition of one twist conformer with three distinct "distorted boat" conformers, according to Boltzmann weighting from a refined quartic potential. Both models gave equal goodness-of-fit, the angle between the carbonyls (x) refining to 156° for model one, the four pseudoconformer model showing about equal conformer weighting from x = 180° to x = 124°. The upper limit of 1 kcal/mole may be placed on a possible potential well depth for x in this range. The diffraction data show no evidence of a chair conformer, and we may exclude its presence in amounts greater than 10 percent. The values of the important distances (ra), angles, and rms amplitudes of vibration with 2σ* error limits are r(C-H) = 1.106(5), r(C=0) = 1.215(2), <rc₋c> = 1.525(2), rcMe - rcconj = -.011(22), <C₆C₁C₂ = 116.8(11), <C₁C₂C₃ = 112.6(4), <CCH = 112.1(9).
Resource Type
Date Available
Date Copyright
Date Issued
Degree Level
Degree Name
Degree Field
Degree Grantor
Commencement Year
Advisor
Academic Affiliation
Non-Academic Affiliation
Subject
Rights Statement
Peer Reviewed
Language
Digitization Specifications
  • File scanned at 300 ppi (Monochrome) using ScandAll PRO 1.8.1 on a Fi-6670 in PDF format. CVista PdfCompressor 4.0 was used for pdf compression and textual OCR.
Replaces
Additional Information
  • description.provenance : Approved for entry into archive by Patricia Black(patricia.black@oregonstate.edu) on 2013-09-05T20:12:33Z (GMT) No. of bitstreams: 1 JohnsonRobertD1981.pdf: 398428 bytes, checksum: 06563c8a81ecdef8ed1916d4bbb534d4 (MD5)
  • description.provenance : Made available in DSpace on 2013-09-10T19:22:15Z (GMT). No. of bitstreams: 1 JohnsonRobertD1981.pdf: 398428 bytes, checksum: 06563c8a81ecdef8ed1916d4bbb534d4 (MD5) Previous issue date: 1980-08-15
  • description.provenance : Submitted by Katy Davis (kdscannerosu@gmail.com) on 2013-09-05T19:02:26Z No. of bitstreams: 1 JohnsonRobertD1981.pdf: 398428 bytes, checksum: 06563c8a81ecdef8ed1916d4bbb534d4 (MD5)
  • description.provenance : Approved for entry into archive by Patricia Black(patricia.black@oregonstate.edu) on 2013-09-10T19:22:15Z (GMT) No. of bitstreams: 1 JohnsonRobertD1981.pdf: 398428 bytes, checksum: 06563c8a81ecdef8ed1916d4bbb534d4 (MD5)

Relationships

In Administrative Set:
Last modified: 08/07/2017

Downloadable Content

Download PDF
Citations:

EndNote | Zotero | Mendeley

Items