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Volumn 20, Issue 1-2, 1980, Pages 72-83

The Conformations of Cyclononane Dynamic Nuclear Magnetic Resonance and Force‐Field Calculations

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EID: 0001927938     PISSN: 00212148     EISSN: 18695868     Source Type: Journal    
DOI: 10.1002/ijch.198000055     Document Type: Article
Times cited : (34)

References (53)
  • 10
    • 0000010344 scopus 로고
    • Exploratory Calculations of Medium and Large Rings. Part 1. Conformational Minima of Cycloalkanes.
    • 1130, 1149
    • (1973) Acta Chemica Scandinavica , vol.27 , pp. 1115
    • Dale, J.1
  • 15
    • 84985057990 scopus 로고    scopus 로고
    • 3, form, the latter being of very high energy.
  • 23
    • 84985154342 scopus 로고
    • ORTEP, Report ORNL‐3795, Oak Ridge National Laboratory, Oak Ridge
    • (1965)
    • Johnson, C.K.1
  • 26
    • 3042988525 scopus 로고
    • This is also true of Allinger's force field as used in Ref. 7, but a more recent force field (MM2) developed by this author, gives a lower energy for the boat–chair than for the twist–chair–chair in cyclooctane (N. L. Allinger, personal communication). See also
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 8127
    • Allinger, N.L.1
  • 29
    • 84985114110 scopus 로고    scopus 로고
    • 13C labels in an unsymmetrical arrangement (e.g., 1,2,4, but not 1,2,3 or 1,3,5, etc.) is sufficient labelling. On the other hand, over‐labelling to the extent that the molecule becomes “chemically” chiral complicates the picture without adding more information for the present purpose.
  • 30
    • 84985057959 scopus 로고    scopus 로고
    • 12 is not close to zero.
  • 31
    • 84985160121 scopus 로고    scopus 로고
    • D̊ of close to zero, but the data at the higher temperatures are complicated by the presence of a second dynamic NMR effect, and thus the results are not completely unambiguous.
  • 33
    • 84985107645 scopus 로고
    • (1972) , vol.94 , pp. 5319
  • 34
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    • (1974) , vol.96 , pp. 1827
  • 36
    • 84985114119 scopus 로고    scopus 로고
    • In the fast exchange region of a dynamic NMR effect, which here is caused by the interconversion of the [333] with the [225] form, the broadening is inversely proportional to the rate constant. Thus, the data in Fig. 9, which is a semilog plot, should be a straight line if the data reflects only the above process.
  • 39
    • 84985140463 scopus 로고    scopus 로고
    • max.
  • 43
    • 0000235716 scopus 로고
    • Crystal Structure of 3,3,6,6,9,9-Hexamethyl-1,2,4,5,7,8-hexa-oxacyclononane ("Trimeric Acetone Peroxide").
    • (1969) Acta Chemica Scandinavica , vol.23 , pp. 1311
    • Groth, P.1
  • 53
    • 84985108566 scopus 로고
    • Ph.D. Thesis, University of California, Los Angeles
    • (1971)
    • Bradley, C.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.