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The loss of translational and rotational entropy for A + B = C reaction in solution is ordinarily on the order of 30-40 entropy units. See a) M. I. Page and W. P. Jencks, Proc. Natl. Acad. Sci. U.S.A., 68, 1678,(1977).
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Observed equilibrium entropies of many readily reversible association to form charge transfer complexes are about -10 to -20 eu. See R. Foster, "Organic Charge Transfer Complexes," Academic Press, London (1969).
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Organic Charge Transfer Complexes
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Foster, R.1
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22
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0001708414
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note
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Since the LUMO energy level is a good guide for the ability of electron acceptors, LUMO energy levels of these weak electron acceptors were estimated with semi-empirical MO calculation (PM3: 2,4,6-tribromoanisole, -0.72 eV; 4-nitroanisole, -1.08; N-methyl-3-nitrophthalimide, -1.78; N-methyl-4-nitrophthalimide, -2.09).
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23
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33845807010
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S. W. Benson, F. R. Cruickshank, D. M. Gorden, G. R. Haugen, H. E. O'Neal, A. S. Rodgers, R. Shaw, and R. Walsh, Chem. Rev., 69, 279 (1969).
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Rodgers, A.S.6
Shaw, R.7
Walsh, R.8
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24
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0000990824
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Y. Fukazawa, S. Usui, K. Tanimoto, and Y. Hirai, J. Am. Chem. Soc., 116, 8169 (1994).
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Fukazawa, Y.1
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Tanimoto, K.3
Hirai, Y.4
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