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Hamilton, D.G.1
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Sauvage, J.-P.4
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(e) Dietrich-Buchecker, C. O.; Khémiss, A.; Sauvage, J.-P. J. Chem. Soc., Chem. Commun. 1986, 1376-1378.
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58249112929
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(g) Sato, Y.; Yamasaki, R.; Saito, S. Angew. Chem., Int. Ed. 2009, 48, 504-507.
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Angew. Chem., Int. Ed
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Sato, Y.1
Yamasaki, R.2
Saito, S.3
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67
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0347088929
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Compound 3 was synthesized using a procedure slightly modified from that given in the following reference: Tseng, H.-R.; Vignon, S. A.; Celestre, P. C.; Perkins, J.; Jeppesen, J. O.; Fabio, A. D.; Ballardini, R.; Gandolfi, M. T.; Venturi, M.; Balzani, V.; Stoddart, J. F. Chem. - Eur. J. 2004, 10, 155-172.
-
Compound 3 was synthesized using a procedure slightly modified from that given in the following reference: Tseng, H.-R.; Vignon, S. A.; Celestre, P. C.; Perkins, J.; Jeppesen, J. O.; Fabio, A. D.; Ballardini, R.; Gandolfi, M. T.; Venturi, M.; Balzani, V.; Stoddart, J. F. Chem. - Eur. J. 2004, 10, 155-172.
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68
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68849095984
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6, facilitating its purification as the sole charged component in an assortment of organic products derived from Eglinton coupling of 4.
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6, facilitating its purification as the sole charged component in an assortment of organic products derived from Eglinton coupling of 4.
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69
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68849098156
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Crystal description: C79.50H93F24N 12.50O8P4S4; Mr, 2059.78; triclinic; space group P1; a, 14.0138(4) Å, b, 14.0734(2) Å, c, 25.1493(5) Å, α, 98.2070(10)°, β, 105.1000(10)°, γ, 91.9490(10)°; V, 4726.5(2) Å3; Z, 2; T, 100(2) K; 65124 reflections collected, 16991 independent reflections (R int, 0.0375, RF, 0.0979, wR2, 0.2687. Disordered MeCN molecules as well as PF6- counterions are also present within the structure
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- counterions are also present within the structure.
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70
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68849121461
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A mean π-π distance of 3.35 Å between the bipyridinium faces and the encircled TTF unit was observed.
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A mean π-π distance of 3.35 Å between the bipyridinium faces and the encircled TTF unit was observed.
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71
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68849101601
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[C-H⋯O] short contacts of 2.41, 2.54, and 2.34 Å with corresponding angles of 166.7, 117.24, and 169.06° were measured for the second, third, and second oxygens away from the TTF unit, respectively.
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[C-H⋯O] short contacts of 2.41, 2.54, and 2.34 Å with corresponding angles of 166.7, 117.24, and 169.06° were measured for the second, third, and second oxygens away from the TTF unit, respectively.
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72
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30344457892
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4+-based [2]catenanes, see: Vignon, S. A.; Stoddart, J. F. Collect. Czech. Chem. Commun. 2005, 70, 1493-1576.
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4+-based [2]catenanes, see: Vignon, S. A.; Stoddart, J. F. Collect. Czech. Chem. Commun. 2005, 70, 1493-1576.
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74
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0037418978
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For a detailed description of this chemical oxidant and the reasons we used it here, see: a
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For a detailed description of this chemical oxidant and the reasons we used it here, see: (a) Tseng, H.-R.; Vignon, S. A.; Stoddart, J. F. Angew. Chem., Int. Ed. 2003, 42, 1491-1495.
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(2003)
Angew. Chem., Int. Ed
, vol.42
, pp. 1491-1495
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Tseng, H.-R.1
Vignon, S.A.2
Stoddart, J.F.3
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75
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6844239208
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For a review of this and other chemical oxidants commonly used in NMR studies, see: b
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For a review of this and other chemical oxidants commonly used in NMR studies, see: (b) Connelly, N. G.; Geiger, W. E. Chem. Rev. 1996, 96, 877-910.
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(1996)
Chem. Rev
, vol.96
, pp. 877-910
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Connelly, N.G.1
Geiger, W.E.2
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76
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68849091010
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The first-order decay from the MSCC, where the CBPQT4+ ring encircles the butadiyne unit, to the GSCC, where the CBPQT4+ ring encircles the TTF unit, can be fitted using the general formula given in eq 1: Nbutadiyne(t, N°butadiyne, Ntotal, N°butadiyne) exp(-t/τ, 1) where N°butadiyne is the equilibrium population 0, of the MSCC in the ground state at the beginning of the experiment, Nbutadiyne is the metastable-state population at the time t elapsed from the second reductive peak of the first scan to where the first oxidative peak for unencircled TTF would occur in the second successive scan, Ntotal is the total population of translational isomers, and τ is the lifetime of the metastable state. Solving eq 1 for 1/τ yields the rate constant k for the relaxation process, which may be
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‡ of 14.8 ± 1 kcal/mol for the MSCC-to-GSCC relaxation process.
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77
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68849101602
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As opposed to CV, spectroelectrochemistry relies on the complete oxidation or reduction of the analyte across the entire path length of the cell. The long waiting times are therefore not a reflection of the kinetics of switching a single molecule but of the diffusion of molecules to and from the working electrode
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As opposed to CV, spectroelectrochemistry relies on the complete oxidation or reduction of the analyte across the entire path length of the cell. The long waiting times are therefore not a reflection of the kinetics of switching a single molecule but of the diffusion of molecules to and from the working electrode.
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78
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0006894480
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The cell is an optically transparent thin-layer electrochemical (OTTLE) cell with an optical path of 1 mm that uses a Pt grid as the working electrode, a Pt wire as the counter electrode, and a Ag/AgCl reference electrode. For the construction of this cell, see: Babaei, A.; Connor, P. A.; McQuillan, A. J.; Umapathy, S. J. Chem. Educ. 1997, 74, 1200-1204.
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The cell is an optically transparent thin-layer electrochemical (OTTLE) cell with an optical path of 1 mm that uses a Pt grid as the working electrode, a Pt wire as the counter electrode, and a Ag/AgCl reference electrode. For the construction of this cell, see: Babaei, A.; Connor, P. A.; McQuillan, A. J.; Umapathy, S. J. Chem. Educ. 1997, 74, 1200-1204.
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79
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68849120644
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The attenuation in signal intensity (Figure 6) is attributed to electrochemical destruction of the molecule over the course of the investigation.
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The attenuation in signal intensity (Figure 6) is attributed to electrochemical destruction of the molecule over the course of the investigation.
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82
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57349095296
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Benítez, D.; Tkatchouk, E.; Yoon, I.; Stoddart, J. F.; Goddard, W. A., III. J. Am. Chem. Soc. 2008, 130, 14928-14929.
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(2008)
J. Am. Chem. Soc
, vol.130
, pp. 14928-14929
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Benítez, D.1
Tkatchouk, E.2
Yoon, I.3
Stoddart, J.F.4
Goddard III, W.A.5
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83
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68849089732
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Our calculations did not include entropic corrections, which could lower the energy for the MSCC and the circumrotation barrier by 2-4 kcal mol -1 as a consequence of the greater vibrational freedom of the butadiyne and the oligomeric ethylene glycol chain inside the CBPQT4+ ring
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4+ ring.
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84
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68849094360
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This somewhat crude estimate of the proposed electronic transition between the butadiyne and CBPQT4+ ring in 16+ is based upon energy levels calculated without applying a solvent correction for 14, and while there would be some variation in the energies as a consequence of the added charge, we speculate that the error in the calculation would amount to no more than 40 nm
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4+, and while there would be some variation in the energies as a consequence of the added charge, we speculate that the error in the calculation would amount to no more than 40 nm.
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85
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68849115997
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Originally reported in ref 6g
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Originally reported in ref 6g.
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86
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Fuchter, M. J.; Beall, L. S.; Baum, S. M.; Montalban, A. G.; Sakellariou, E. G.; Mani, N. S.; Miller, T.; Vesper, B. J.; White, A. J. P.; Williams, D. J.; Barrett, A. G. M.; Hoffman, B. M. Tetrahedron 2005, 61, 6115-6130.
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(2005)
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, vol.61
, pp. 6115-6130
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Fuchter, M.J.1
Beall, L.S.2
Baum, S.M.3
Montalban, A.G.4
Sakellariou, E.G.5
Mani, N.S.6
Miller, T.7
Vesper, B.J.8
White, A.J.P.9
Williams, D.J.10
Barrett, A.G.M.11
Hoffman, B.M.12
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87
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0028109566
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Andreu, R.; Garín, J.; Orduna, J.; Savirón, M.; Cousseau, J.; Gorgues, A.; Morisson, V.; Nozdryn, T.; Becher, J.; Clausen, R. P.; Bryce, M. R.; Skabara, P. J.; Dehaen, W. Tetrahedron Lett. 1994, 35, 9243-9246.
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(1994)
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, vol.35
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Andreu, R.1
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Morisson, V.7
Nozdryn, T.8
Becher, J.9
Clausen, R.P.10
Bryce, M.R.11
Skabara, P.J.12
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Gottlieb, H. G.; Kotlyar, V.; Nudelman, A. J. Org. Chem. 1997, 62, 7512-7515.
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Gottlieb, H.G.1
Kotlyar, V.2
Nudelman, A.3
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89
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Jaguar, version 7.0; Schrödinger, LLC: New York, 2007
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Jaguar, version 7.0; Schrödinger, LLC: New York, 2007.
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