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Volumn 133, Issue 12, 2011, Pages 4538-4547

Mechanically stabilized tetrathiafulvalene radical dimers

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT CONDITIONS; BINDING MOTIF; BIPHENYLENE; BUTADIYNE; CATENANES; CATION DIMERS; DONOR-ACCEPTORS; ELECTRON DEFICIENT RINGS; ELECTRON-RICH; EPR SPECTROSCOPY; EXPERIMENTAL DATA; HIGH-LEVEL DFT; INTERMOLECULAR INTERACTIONS; MACROCYCLES; MOLECULAR SQUARES; RADICAL DIMERS; SOLID-STATE CRYSTALS; TETRATHIAFULVALENES; UV-VIS-NIR;

EID: 79953062760     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja110584c     Document Type: Article
Times cited : (111)

References (71)
  • 57
    • 79953056773 scopus 로고    scopus 로고
    • note
    • 4+ cyclophane and the DNP units located within its cavity, in keeping with circumrotations on the part of both ring components. It is important to note that the results of the chemical oxidations are completely in line with these observations made on the basis of spectroelectrochemistry.
  • 59
    • 79953036224 scopus 로고    scopus 로고
    • note
    • 6+ allows us to calculate the percentage populations of the state under equilibrium conditions.
  • 60
    • 79953036015 scopus 로고    scopus 로고
    • note
    • 8+.
  • 61
    • 77953184137 scopus 로고    scopus 로고
    • 4+ ring so that there are no 'alongside' interactions with respect to the tetracationic cyclophane (See also Forgan, R. S.; Spruell, J. M.; Olsen, J.-C.; Stern, C. L.; Stoddart, J. F. J. Mex. Chem. Soc. 2009, 53, 134-138). These crystals did not diffract X-rays and so the solid-state structure could not be determined.
    • (2009) J. Mex. Chem. Soc. , vol.53 , pp. 134-138
    • Forgan, R.S.1    Spruell, J.M.2    Olsen, J.-C.3    Stern, C.L.4    Stoddart, J.F.5
  • 62
    • 79953030609 scopus 로고    scopus 로고
    • The distance between two TTF units in each case is calculated by measuring the plane-to-plane distance. The angle of offset is defined by the relative orientations of the C-C double bonds in the TTF units. When these bonds are eclipsed, the angle is 0°. The vertical offset is the measure of offset between the planes of the TTF units, when these TTF units are in register, the vertical offset value is 0 Å. The hydrogen atoms and counterions have been omitted for clarity.
    • The distance between two TTF units in each case is calculated by measuring the plane-to-plane distance. The angle of offset is defined by the relative orientations of the C-C double bonds in the TTF units. When these bonds are eclipsed, the angle is 0°. The vertical offset is the measure of offset between the planes of the TTF units, when these TTF units are in register, the vertical offset value is 0 Å. The hydrogen atoms and counterions have been omitted for clarity.
  • 64
    • 79953040469 scopus 로고    scopus 로고
    • This distortion has a significant effect on the central C=C bond length. In many cases in the literature, the length of this bond has been used as a diagnostic tool to determine the oxidation state of TTF units, but the unique environment provided by the mechanically interlocked molecule precludes the use of this measurement, on account of the effect of noncovalent bonding interactions on the TTF moieties in the two [3]catenanes.
    • This distortion has a significant effect on the central C=C bond length. In many cases in the literature, the length of this bond has been used as a diagnostic tool to determine the oxidation state of TTF units, but the unique environment provided by the mechanically interlocked molecule precludes the use of this measurement, on account of the effect of noncovalent bonding interactions on the TTF moieties in the two [3]catenanes.
  • 71
    • 84859567702 scopus 로고    scopus 로고
    • Schrodinger, LLC: New York.
    • Jaguar 7.6; Schrodinger, LLC: New York: 2009.
    • (2009) Jaguar 7.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.