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a) B. Giese, Angew. Chem. 1985, 97,555; Angew. Chem. Int. Ed. Engl. 1985, 24, 553;
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a) B. Giese, Angew. Chem. 1985, 97,555; Angew. Chem. Int. Ed. Engl. 1985, 24, 553;
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0642291296
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note
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3OH) afforded 2ay and 2az.
-
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19
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0642291295
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-
note
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3COOH at 50°C to quantitatively afford the protonolysis product 11 in 20 min). Thus, the rate measurements are always slightly dependent on reaction conditions. This is probably the reason why analytically pure samples have not yet been made.
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20
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0000989168
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23
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0001043376
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2Hg by B3LYP method matches the experimental values within an error of 1.4%: D. C. Mckean, G. P. McQuillan, D. W. Thompson, Spectrochim Acta 1980, 36A, 1009.
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24
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0001510524
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The basis set used for Hg is 6-31G(d,p)-SK BJ RECP. ECP: a) W. J. Stevens, M. Krauss, H. Basch, P. G. Jasien, Can. J. Chem. 1992, 70, 612. The 6-31G(d, p) basis set was used for the remaining atoms: b) W. J. Hehre, L. Radom, P. von R. Schleyer, J. A. Pople, Ab Initio Molecular Orbital Theory; Wiley, Chichester, 1986.
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25
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84873055189
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Wiley, Chichester
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The basis set used for Hg is 6-31G(d,p)-SK BJ RECP. ECP: a) W. J. Stevens, M. Krauss, H. Basch, P. G. Jasien, Can. J. Chem. 1992, 70, 612. The 6-31G(d, p) basis set was used for the remaining atoms: b) W. J. Hehre, L. Radom, P. von R. Schleyer, J. A. Pople, Ab Initio Molecular Orbital Theory; Wiley, Chichester, 1986.
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Hehre, W.J.1
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27
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0345491105
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0642321717
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0642321714
-
-
note
-
-1.
-
-
-
-
30
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-
0642352568
-
-
note
-
3HgH decomposition is related to but not the same as the BDE, which is a measure of the stability of a single isolated molecule.
-
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31
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0006244148
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K. Raghavachari, G. W. Trucks, J. A. Pople, M. Head-Gordon, Chem. Phys. Lett. 1989, 157, 479.
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