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Volumn 48, Issue 32, 2009, Pages 5845-5847

The two structures of the hexafluorobenzene radical cation C 6F6

Author keywords

Bond stretch isomerism; Hexafluorobenzene; Potential energy surface; Structure elucidation

Indexed keywords

BOND-STRETCH ISOMERISM; HEXAFLUOROBENZENE; JAHN-TELLER; QUINOID STRUCTURE; RADICAL CATIONS; STRUCTURE ELUCIDATION;

EID: 70349902880     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200900666     Document Type: Article
Times cited : (60)

References (34)
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    • X-ray data for C6F6Os2F 11, a, 898.58(4, c, 28.7388(18) pm, γ, 120°, V= 2009.6 × 106 pm3, trigonal, space group P 3121, Z, 6, θmax, 46.5°, 11890 unique reflections, 230 parameters, R1= 0.0251, wR2, 0.0543. X-ray data for C6F6+ Sb2F11, a, 905.80(7, c, 290.79(42) pm, γ, 120°, V, 2066.2 × 106 pm3, trigonal, space group P 3 221, Z, 6, θmax, 30.5°, 4208 unique reflections, 230 parameters, R1= 0.0152, wR2, 0.0336. CCDC 703432 and 703433 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centr
    • 2 = 0.0336. CCDC 703432 and 703433 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data-request/cif.
  • 18
    • 70349934688 scopus 로고    scopus 로고
    • 2 = 0.1147, CCDC703623 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif.
    • 2 = 0.1147, CCDC703623 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif.
  • 19
    • 70349898588 scopus 로고    scopus 로고
    • Turbomole5.10, Ahlrichs et al., University of Karlsruhe, (B3LYP and BP Functional are used with the default TZVPP basis set of Turbomole).
    • Turbomole5.10, Ahlrichs et al., University of Karlsruhe, (B3LYP and BP Functional are used with the default TZVPP basis set of Turbomole).
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    • (2004) Angew. Chem. Int. Ed , vol.43 , pp. 4880-4883
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.