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0342330213
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note
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Extended storage in acetonitrile solution at room temperature does not result in any significant change in the isomer ratio, which would indicate either a strongly preferred hydrolysis of the sterically more strained cis-1 or a spontaneous isomerization, as one of the referees suggested.
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27
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0342765049
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note
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-1, R(F) = 4.60% for 2604 observed independent reflections (4.50° ≤ 2θ ≤ 51.96°). (c) Crystallographic data (excluding structure factors) for the structures reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication No. CCDC-116710 (trans-1) and No. CCDC-116711 (cis-1). Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (fax: (+44) 1223-336-033; e-mail: deposit@ccdc.cam.ac.uk).
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0003526892
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Wavefunction Inc., 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612
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(a) SPARTAN Version 5.1, Wavefunction Inc., 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612.
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Spartan Version 5.1
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Gaussian, Inc.: Pittsburgh, PA
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(b) Gaussian 98, Revision A.6, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A.; Gaussian, Inc.: Pittsburgh, PA, 1998. All stationary points were characterized as minima (zero imaginary frequencies) or transition structures (one imaginary frequency) by calculation of vibrational frequencies. All energies were corrected for the (unscaled) zero-point vibrational energy (ZPE).
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Cheeseman, J.R.6
Zakrzewski, V.G.7
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Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
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30
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34250153189
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A similar conclusion was reached by: Boldyrev, A. I.; Zakzhevskii, V. G.; Charkin, O. P. J. Structural Chem. (Engl. Transl.) 1982, 23, 844-847. Boldyrev, A. I.; Zakzhevskii, V. G.; Charkin, O. P. Zh. Strukt. Khim. 1982, 23, 30-34.
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Boldyrev, A.I.1
Zakzhevskii, V.G.2
Charkin, O.P.3
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31
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0343199633
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A similar conclusion was reached by: Boldyrev, A. I.; Zakzhevskii, V. G.; Charkin, O. P. J. Structural Chem. (Engl. Transl.) 1982, 23, 844- 847. Boldyrev, A. I.; Zakzhevskii, V. G.; Charkin, O. P. Zh. Strukt. Khim. 1982, 23, 30-34.
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Boldyrev, A.I.1
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33
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0343199634
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note
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-1; pressure: 0.6 bar; injector temperature: 260 °C.)
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