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See the Supporting Information for details
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See the Supporting Information for details.
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18
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For a description of our LFP system, see: Moss, R. A.; Johnson, L. A.; Merrer, D. C.; Lee, G. E., Jr. J. Am. Chem. Soc. 1999, 121, 5940. The 1000 W Xe monitoring lamp has been replaced by a 150 W pulsed Xe lamp.
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27144431909
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Supporting Information
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The product ratios were determined by capillary GC on a 30 m 5% phenylmethylsiloxane column. The product distributions appear in Table S1 (Supporting Information).
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24
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Reference 13
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(d) Reference 13.
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33
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27144453587
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cf. ref 17c, pp 165f
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More likely the proximate intermediate is actually the 1,3-carbon-nitrogen diradical obtained by a single C-N homolysis of 5*; cf. ref 17c, pp 165f.
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-
-
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34
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27144454304
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See Table S2 and Figure S11 (Supporting Information)
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See Table S2 and Figure S11 (Supporting Information).
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-
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-
36
-
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27144501055
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note
-
24b Activation energies were corrected for zero-point energy differences (ZPVE) (unscaled) and thermal effects at 298.150 K. Vibrational analyses established the nature of all stationary points as either energy minima (no imaginary frequencies) or first-order saddle points (one imaginary frequency).
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37
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0141704726
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Gaussian, Inc.; Pittsburgh, PA, 2003. See the Supporting Information for the full reference
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Gaussian 03, revision B.03; Gaussian, Inc.; Pittsburgh, PA, 2003. See the Supporting Information for the full reference.
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Gaussian 03, Revision B.03
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39
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0345491105
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(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B. 1988, 37, 785.
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27144491315
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note
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9
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41
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27144442009
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See ref 6
-
See ref 6 for matrix isolation methodology and instrumentation.
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42
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27144492252
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note
-
TD-B3LYP/6-31+G** calculations predict UV/vis absorptions at 777 (f = 0.0015) and 303 nm (f = 0.084) for anti-1c vs 719 (f = 0.006) and 338 nm (f = 0.045) for syn-1c, consistent with detection of the former isomer both in solution and in matrixes.
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