Abstract
Quantum chemical calculations were performed to obtain information on the molecular properties of relevant species involved in catalytic glucose hydrogenation for the production of sorbitol.
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E. Crezee, B.W. Hoffer, R.J. Berger, M. Makkee, F. Kapteijn, J.A. Moulijn: Appl. Cat. A: General, 251, 1 (2003).
B. Chen, U. Dingerdissen, J.G.E. Krauter, H.G.J. Lansink Rotgerink, K. Möus, D.J. Ostgard, P. Panster, T.H. Riermeier, S. Seelbald, T. Tacke, H. Trauthwein: Appl. Cat. A: General, 280, 17 (2005).
J. Kuusisto, J.P. Mikkola, P.P. Casal, H. Karhu, J. Väyrynen, T. Salmi: Chem. Eng. Journal, 115, 93 (2005).
A. Guo, H. Li, J. Zhu, W. Ye, M. Qiao, W. Dai: J. Molecular Cat. A: Chemical., 200, 213 (2003).
P. Gallezot, N. Nicolaus, G. Flèche, P. Fuertes, A. Perrard: Journal of Catalysis, 180, 51 (1998).
K. van Gorp, E. Boerman, C.V. Cavenaghi, P.H. Berben: Catalysis Today, 52, 349 (1999).
L.C.A. Maranhão, F.G. Sales, J.A.F.R. Pereira, C.A.M. Abreu: React. Kinet. Catal. Lett., 81, 169 (2004).
B. Ma, H.F. III Shaefer, N.L. Allinger: J. Am. Chem. Soc., 120, 3411 (1998).
C.J. Cramer: Essencial of Computational Chemistry Models Theory, John Wiley and Sons, England, 2003.
C. Kittel: A introdução a fisica do estado sólido. 5a Edição, Guanabara 2, 1978.
Wavefunction, Inc. Spartan’04 Windows Tutorial and User’s Guide. 2nd ed., 2001.
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople: Gaussian 03, Revision B.01. Gaussian, Inc., Pittsburgh PA, 2003.
C.O. da Silva, B. Mennucci, T. Vreven: J. Org. Chem., 69, 8161 (2004).
C.J. Cramer, D.G. Truhlar: J. Am. Chem. Soc., 115, 5745 (1993).
M. Makkee, A.P.G. Kibboom, H. van Bekkum: Carbohydrate Research, 138, 225 (1985).
M. Besson, P. Gallezot, A. Perrard, C. Pinel: Catalysis Today, 102–103, 160 (2005).
R.S. Monteiro: Estudio teórico da síntese de Fischer-Tropsch. Master Thesis, EQ/UFRJ, Rio de Janeiro — Brasil, 2006.
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Castoldi, M.C.M., Câmara, L.D.T., Monteiro, R.S. et al. Experimental and theoretical studies on glucose hydrogenation to produce sorbitol. React Kinet Catal Lett 91, 341–352 (2007). https://doi.org/10.1007/s11144-007-5147-8
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DOI: https://doi.org/10.1007/s11144-007-5147-8