Home / Publications / Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study

Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study

Evgeny Aleksandrovich Pidko 1
Evgeny Aleksandrovich Pidko
Rutger A van Santen 1
Rutger A van Santen
Published 2007-03-15
CommunicationVolume 17, Issue 2, 68-70
8
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Pidko E. A., van Santen R. A. Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study // Mendeleev Communications. 2007. Vol. 17. No. 2. pp. 68-70.
GOST all authors (up to 50) Copy
Pidko E. A., van Santen R. A. Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study // Mendeleev Communications. 2007. Vol. 17. No. 2. pp. 68-70.
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TY - JOUR
DO - 10.1016/j.mencom.2007.03.004
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.004
TI - Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study
T2 - Mendeleev Communications
AU - Pidko, Evgeny Aleksandrovich
AU - van Santen, Rutger A
PY - 2007
DA - 2007/03/15
PB - Mendeleev Communications
SP - 68-70
IS - 2
VL - 17
ER -
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@article{2007_Pidko,
author = {Evgeny Aleksandrovich Pidko and Rutger A van Santen},
title = {Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study},
journal = {Mendeleev Communications},
year = {2007},
volume = {17},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.004},
number = {2},
pages = {68--70},
doi = {10.1016/j.mencom.2007.03.004}
}
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Pidko, Evgeny Aleksandrovich, and Rutger A van Santen. “Activation of light alkanes over Cd2+ ions in ZSM-5 zeolite: a theoretical study.” Mendeleev Communications, vol. 17, no. 2, Mar. 2007, pp. 68-70. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.004.

Abstract

A DFT study of ethane activation over cadmium exchanged ZSM-5 zeolite shows that the interaction of C2H6 with the Cd2+ sites results in a strongly perturbed molecular adsorption leading to heterolytic cleavage of the C–H bond with a moderate activation barrier.

References

1.
Ethane to Aromatic Hydrocarbons: Past, Present, Future
HAGEN A., ROESSNER F.
Catalysis Reviews - Science and Engineering, 2000
6.
CRC Handbook of Chemistry and Physics, 80th edn., ed. D. R. Lide, CRC Press, New York, 1999.
7.
The Conformations of Alkanes Adsorbed on Zeolitic Cations
8.
Interplay of Bonding and Geometry of the Adsorption Complexes of Light Alkanes within Cationic Faujasites. Combined Spectroscopic and Computational Study
Pidko E.A., Xu J., Mojet B.L., Lefferts L., Subbotina I.R., Kazansky V.B., van Santen R.A.
Journal of Physical Chemistry B, 2006
9.
Crystal structure and structure-related properties of ZSM-5
Olson D.H., Kokotailo G.T., Lawton S.L., Meier W.M.
The Journal of Physical Chemistry, 1981
13.
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.05), Gaussian, Inc., Pittsburgh PA, 2003.
15.
T. H. Dunning Jr. and P. J. Hay, in Modern Theoretical Chemistry, ed. H.F. Schaefer III, Plenum Press, New York, 1976. vol. 3, pp. 1–28.
17.
Synthesis and structure refinement of ZSM—5 single crystals
Lermer H., Draeger M., Steffen J., Unger K.K.
Zeolites, 1985