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19
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68149173659
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+ is -131.5 kcal/mol, and calculated heat of reaction for disproportionate followed by protonation is -245.6 kcal/ mol(B3LYP/6-31G).
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+ is -131.5 kcal/mol, and calculated heat of reaction for disproportionate followed by protonation is -245.6 kcal/ mol(B3LYP/6-31G).
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21
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0002714416
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Morino, Y.; Iijima, T.; Mutara, Y. Bull. Chem. Soc. Jpn. 1960, 33, 46.
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Morino, Y.1
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Mutara, Y.3
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22
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68149102450
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AU electronic structure calculations were performed using Gaussian 03: Frisch, M. J. et al., Gaussian 03; Gaussian, Inc.: Wallingford, CT, 2004 (see Supporting Information for full citation). AU stationary points are characterized by frequency calculations on the optimized geometries.
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AU electronic structure calculations were performed using Gaussian 03: Frisch, M. J. et al., Gaussian 03; Gaussian, Inc.: Wallingford, CT, 2004 (see Supporting Information for full citation). AU stationary points are characterized by frequency calculations on the optimized geometries.
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23
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68149107045
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+ are given in Supporting Information.
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+ are given in Supporting Information.
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24
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68149097965
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An increase in N(2)-C(5) distance from 1.309 to 1.409 Â is noticed upon protonation of 2a, see Supporting Information
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+ (see Supporting Information).
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26
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64549107007
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and references therein
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(b) Li, G.; Zhou, Y.-F.; Cao, X.-B.; Bao, P.; Jiang, K.-J.; Lin, Y.; Yang, L.-M. Chem. Commun. 2009, 2201, and references therein,
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Yang, L.-M.7
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67749145472
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(c) Steckler, T. T.; Zhang, X.; Hwang, J.; Honeyager, R.; Ohira, S.; Zhang, X.-H.; Grant, A.; EUinger, S.; Odom, S. A.; Sweat, D.; Tanner, D. B.; Rinzler, A. G.; Barlow, S.; Bradas, J.-L.; Kippelen, B.; Marder, S. R.; Reynoldes, J. R. J. Am. Chem. Soc. 2009, 131, 2824.
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EUinger, S.8
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Tanner, D.B.11
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Barlow, S.13
Bradas, J.-L.14
Kippelen, B.15
Marder, S.R.16
Reynoldes, J.R.17
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