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Volumn 125, Issue 10, 2003, Pages 3159-3167

Cyclic vinylogous TTF: A potential molecular clip triggered by electron transfer

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; OXIDATION; X RAY CRYSTALLOGRAPHY;

EID: 0037433602     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0289090     Document Type: Article
Times cited : (63)

References (63)
  • 1
    • 0034839247 scopus 로고    scopus 로고
    • For examples and general reviews about molecular devices triggered by electron transfers and related concepts, see for example (references therein): (a) Pease, A. R.; Jeppesen, J. O.; Stoddart, J. F.; Luo, Y.; Collier, C. P.; Heath, J. R. Acc. Chem. Res. 2001, 34, 433. (b) Collin J.-P.; Dietrich-Buchecker, C.; Gaviñia, P.; Jimenez-Molero, M. C.; Sauvage, J.-P. Acc. Chem. Res, 2001, 34, 477. (c) Amendola, V.; Fabbrizzi, L.; Mangano, C.; Pallavicini, P. Acc. Chem. Res. 2001, 34, 488.
    • (2001) Acc. Chem. Res. , vol.34 , pp. 433
    • Pease, A.R.1    Jeppesen, J.O.2    Stoddart, J.F.3    Luo, Y.4    Collier, C.P.5    Heath, J.R.6
  • 2
    • 0034839858 scopus 로고    scopus 로고
    • For examples and general reviews about molecular devices triggered by electron transfers and related concepts, see for example (references therein): (a) Pease, A. R.; Jeppesen, J. O.; Stoddart, J. F.; Luo, Y.; Collier, C. P.; Heath, J. R. Acc. Chem. Res. 2001, 34, 433. (b) Collin J.-P.; Dietrich-Buchecker, C.; Gaviñia, P.; Jimenez-Molero, M. C.; Sauvage, J.-P. Acc. Chem. Res, 2001, 34, 477. (c) Amendola, V.; Fabbrizzi, L.; Mangano, C.; Pallavicini, P. Acc. Chem. Res. 2001, 34, 488.
    • (2001) Acc. Chem. Res. , vol.34 , pp. 477
    • Collin, J.-P.1    Dietrich-Buchecker, C.2    Gaviñia, P.3    Jimenez-Molero, M.C.4    Sauvage, J.-P.5
  • 3
    • 0034840406 scopus 로고    scopus 로고
    • For examples and general reviews about molecular devices triggered by electron transfers and related concepts, see for example (references therein): (a) Pease, A. R.; Jeppesen, J. O.; Stoddart, J. F.; Luo, Y.; Collier, C. P.; Heath, J. R. Acc. Chem. Res. 2001, 34, 433. (b) Collin J.-P.; Dietrich-Buchecker, C.; Gaviñia, P.; Jimenez-Molero, M. C.; Sauvage, J.-P. Acc. Chem. Res, 2001, 34, 477. (c) Amendola, V.; Fabbrizzi, L.; Mangano, C.; Pallavicini, P. Acc. Chem. Res. 2001, 34, 488.
    • (2001) Acc. Chem. Res. , vol.34 , pp. 488
    • Amendola, V.1    Fabbrizzi, L.2    Mangano, C.3    Pallavicini, P.4
  • 22
    • 0242475613 scopus 로고    scopus 로고
    • note
    • 8b,c
  • 43
    • 0242392292 scopus 로고    scopus 로고
    • note
    • (a) Hybrid density functional methods with the 6-31G* base have been used previously for calculations on neutral and radical cations of hetorocycles containing sulphur atoms and on extended TTF and found to give a good qualitative description of properties. For example, see ref 21b,c.
  • 47
    • 84961981091 scopus 로고    scopus 로고
    • (b). For a general review about solvation methods, see: Cramer, J.; Truhlar, D. G. Chem. Rev. 1999, 99, 2161.
    • (1999) Chem. Rev. , vol.99 , pp. 2161
    • Cramer, J.1    Truhlar, D.G.2
  • 50
    • 0242475609 scopus 로고    scopus 로고
    • note
    • See the simulation in the Supporting Information exemplifying this effect.
  • 52
    • 0242644036 scopus 로고    scopus 로고
    • note
    • 26b.c None of these situations correspond to our experimental measurements.
  • 56
    • 0242559373 scopus 로고    scopus 로고
    • note
    • p/∂ log). This point was checked with numerical simulations (Digisim 3.1).
  • 60
    • 0242559372 scopus 로고    scopus 로고
    • note
    • 2e-.
  • 61
    • 0242559371 scopus 로고    scopus 로고
    • note
    • Conformations of charged species in the presence of a solvent can be slightly modified from the optimization made in gas phase. This approach was chosen as a compromise between calculation time and precision because optimizations in the presence of solvent would have required unrealistic calculations times.
  • 62
    • 0242392289 scopus 로고    scopus 로고
    • note
    • 12 for a comparison inside the same family of TTF molecules, the differences of thermal and ZPE corrections among the neutral, radical cation, and dication corresponding to the disproportionation reactions are small and can be negligible for the analysis of the general trend.
  • 63
    • 0242475608 scopus 로고    scopus 로고
    • note
    • 12 compounds because of the too large molecule size.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.