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Volumn 122, Issue 34, 2000, Pages 8333-8334

C62, a non-classical fullerene incorporating a four-membered ring [18]

Author keywords

[No Author keywords available]

Indexed keywords

FULLERENE;

EID: 0034734308     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja001587k     Document Type: Letter
Times cited : (88)

References (31)
  • 4
    • 0001113835 scopus 로고    scopus 로고
    • For higher fullerenes, see: Thilgen, C.; Diederich, F. Top. Curr. Chem. 1999, 199, 135-171. For metallofullerenes, see: Nagase, S.; Kobayashi, K.; Akasaka, T. Bull. Chem. Soc. Jpn. 1996, 69, 2131-2142.
    • (1999) Top. Curr. Chem. , vol.199 , pp. 135-171
    • Thilgen, C.1    Diederich, F.2
  • 5
    • 0001450834 scopus 로고    scopus 로고
    • For higher fullerenes, see: Thilgen, C.; Diederich, F. Top. Curr. Chem. 1999, 199, 135-171. For metallofullerenes, see: Nagase, S.; Kobayashi, K.; Akasaka, T. Bull. Chem. Soc. Jpn. 1996, 69, 2131-2142.
    • (1996) Bull. Chem. Soc. Jpn. , vol.69 , pp. 2131-2142
    • Nagase, S.1    Kobayashi, K.2    Akasaka, T.3
  • 7
    • 34250872670 scopus 로고
    • (a) Kroto, H. W. Nature 1987, 329, 529-531.
    • (1987) Nature , vol.329 , pp. 529-531
    • Kroto, H.W.1
  • 15
    • 0343004357 scopus 로고    scopus 로고
    • See Supporting Information
    • See Supporting Information.
  • 16
    • 0031580189 scopus 로고    scopus 로고
    • Local strain as measured by the pyramidalization angle (PA) is also an important factor determining the reactivity of fullerenes. The PA for carbons within the four-membered ring of 2 is 17.9°, much larger than for fullerenes and organic molecules that can be isolated in the condensed phase (PA ≤ 13°, the PA for a tetrahedral carbon is 19.5°!), see: Haddon, R. C.; Scuseria, G. E.; Smalley, R. E. Chem. Phys. Lett. 1997, 272, 38-42.
    • (1997) Chem. Phys. Lett. , vol.272 , pp. 38-42
    • Haddon, R.C.1    Scuseria, G.E.2    Smalley, R.E.3
  • 19
    • 33746372903 scopus 로고
    • (b) Cram, D. J.; Tanner, M. E.; Thomas, R. Angew. Chem., Int. Ed. Engl. 1991, 30, 1024-1027. For radialenes, see: Hopf, H.; Maas, G. Angew. Chem., Int. Ed. Engl. 1992, 31, 931-954.
    • (1992) Angew. Chem., Int. Ed. Engl. , vol.31 , pp. 931-954
    • Hopf, H.1    Maas, G.2
  • 23
    • 0342569986 scopus 로고    scopus 로고
    • note
    • RHF/6-31G* single-point energies also yield a significant decrease (1.3 eV) in HOMO-LUMO gap of 2 relative to 1. Also, RHF/6-31G* single-point calculations yield very similar FMO distributions in 1 and 2, compared to the B3LYP/6-31G* results.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.