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Volumn 132, Issue 32, 2010, Pages 11021-11023

Synthesis and characterization of teranthene: A singlet biradical polycyclic aromatic hydrocarbon having kekulé structures

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE FORM; GEOMETRICAL CONSIDERATIONS; SYNTHESIS AND CHARACTERIZATION;

EID: 77955587750     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1049737     Document Type: Article
Times cited : (259)

References (33)
  • 12
    • 33748231224 scopus 로고
    • For pioneering studies of peri -condensed naphthalenes, the so-called rylenes, see
    • For pioneering studies of peri -condensed naphthalenes, the so-called rylenes, see: Bohnen, A., Koch, K.-H., Lüttke, W., and Müllen, K. Angew. Chem., Int. Ed. Engl. 1990, 29, 525
    • (1990) Angew. Chem., Int. Ed. Engl. , vol.29 , pp. 525
    • Bohnen, A.1    Koch, K.-H.2    Lüttke, W.3    Müllen, K.4
  • 18
    • 77955578314 scopus 로고    scopus 로고
    • We also prepared the non-mesityl derivative of 2a, which decomposed instantly even in a sealed, degassed tube (unpublished).
    • We also prepared the non-mesityl derivative of 2a, which decomposed instantly even in a sealed, degassed tube (unpublished).
  • 23
    • 33847085943 scopus 로고
    • LUMO occupation numbers in the multiconfigurational scheme are known to be a good indication of the amplitude of the biradical character. See
    • LUMO occupation numbers in the multiconfigurational scheme are known to be a good indication of the amplitude of the biradical character. See: Döhnert, D. and Koutecký, J. J. Am. Chem. Soc. 1980, 102, 1789
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 1789
    • Döhnert, D.1    Koutecký, J.2
  • 26
    • 21844460398 scopus 로고
    • The φ-bonding energy was estimated from the rotational barrier in ethylene. See
    • The φ-bonding energy was estimated from the rotational barrier in ethylene. See: Rabinovitch, B. S. and Looney, F. S. J. Chem. Phys. 1955, 23, 315
    • (1955) J. Chem. Phys. , vol.23 , pp. 315
    • Rabinovitch, B.S.1    Looney, F.S.2
  • 29
    • 77955573132 scopus 로고    scopus 로고
    • S-T value was in good agreement with the theoretical value of 2590 K calculated for 2 at the B3LYP/6-31G* level.
    • S-T value was in good agreement with the theoretical value of 2590 K calculated for 2 at the B3LYP/6-31G* level.
  • 30
    • 77955566117 scopus 로고    scopus 로고
    • S-T for 1 was estimated to be 6810 K at the B3LYP/6-31G* level.
    • S-T for 1 was estimated to be 6810 K at the B3LYP/6-31G* level.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.