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Volumn 114, Issue 24, 2010, Pages 6705-6712

How strained are carbomeric-cycloalkanes?

Author keywords

[No Author keywords available]

Indexed keywords

BOND SEPARATION; CHEMICAL EQUATIONS; CYCLO-ALKANES; CYCLOBUTANES; DIRECT ASSESSMENT; HOMODESMOTIC EQUATIONS; HOMODESMOTIC REACTIONS; HYPERCONJUGATION; ISODESMIC; METHYLENE GROUPS; RING SIZES; RING STRAINS; SINGLE BOND; SPACER GROUPS; SPACER UNITS; STEREOELECTRONIC EFFECT;

EID: 77953780998     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1029322     Document Type: Article
Times cited : (24)

References (93)
  • 32
    • 4544285042 scopus 로고    scopus 로고
    • Neutral Thermochemical Data
    • Linstrom, P. J.; Mallard, W. G., Eds. National Institute of Standars and Technology: Gaithersburg, MD.
    • Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Linstrom, P. J.; Mallard, W. G., Eds.; National Institute of Standars and Technology: Gaithersburg, MD, 2004; (http://webbook.nist.gov).
    • (2004) NIST Chemistry WebBook, NIST Standard Reference Database Number 69
    • Afeefy, H.Y.1    Liebman, J.F.2    Stein, S.E.3
  • 50
    • 77953760457 scopus 로고    scopus 로고
    • Energies correspond to geometrical minima optimized with the B3LYP and M06-2X functionals, respectively
    • Energies correspond to geometrical minima optimized with the B3LYP and M06-2X functionals, respectively.
  • 80
    • 0002851019 scopus 로고
    • Ziesche, P.; Eschig, H., Eds. Akademie Verlag: Berlin
    • Perdew, J. P. In Electronic Structure of Solids '91; Ziesche, P.; Eschig, H., Eds.; Akademie Verlag: Berlin, 1991; p 11.
    • (1991) Electronic Structure of Solids '91 , pp. 11
    • Perdew, J.P.1
  • 83
    • 77953769075 scopus 로고    scopus 로고
    • For these bond types, "C" indicates a carbon atom obeying the octet rule by implicit bonding to other carbon atoms.
    • For these bond types, "C" indicates a carbon atom obeying the octet rule by implicit bonding to other carbon atoms.
  • 84
    • 77953748701 scopus 로고    scopus 로고
    • Heats of formation are determined by a reaction energy at a given theoretical level. Taking this energy and the known heats of formation of all reactants and products save one, the unknown heat of formation may be calculated
    • Heats of formation are determined by a reaction energy at a given theoretical level. Taking this energy and the known heats of formation of all reactants and products save one, the unknown heat of formation may be calculated.
  • 92
    • 77953780080 scopus 로고    scopus 로고
    • The optimized bond lengths of [5]-pericyclyne (3b) closely match the experimental bond lengths of decamethyl-[5]-pericyclyne from ref 39.
    • The optimized bond lengths of [5]-pericyclyne (3b) closely match the experimental bond lengths of decamethyl-[5]-pericyclyne from ref 39.
  • 93
    • 77953778204 scopus 로고    scopus 로고
    • 6 h) transition state lying 1 kcal/mol above the isoenergetic chair and boat conformers. We are unable to locate the previously reported envelope structure of 5-pericyclyne.
    • 6 h) transition state lying 1 kcal/mol above the isoenergetic chair and boat conformers. We are unable to locate the previously reported envelope structure of 5-pericyclyne.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.