Abstract
The role of sequentially oriented cycles of hydrogen-bonded molecules in gas hydrate frameworks is analyzed in the framework of the topological model of strong and weak H-bonds. A close correlation is found between the number of strong H-bonds corresponding to trans-conformations, which are more stable, and the number of sequentially oriented cycles. The boundary values of the fractions of such cycles in gas hydrate frameworks are estimated. It is concluded that the high percent of such cycles is an important structural indicator of low-energy configurations, useful in physical analyses of gas hydrates.
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REFERENCES
N. Maeno, The Science of Ice [Russian translation], Nauka, Moscow (1988).
O. Yamamuro, M. Oguni, T. Matsuo, and H. Suga, Solid State Commun., 62, No. 4, 289-292 (1987).
M. V. Kirov, Zh. Strukt. Khim., 43, No. 2, 288-296 (2002).
T. P. Radhakrishnan and W. C. Herndon, J. Phys. Chem., 95, No. 24, 10609-10617 (1991).
S. McDonald, L. Ojamae, and S. J. Singer, ibid., 102, No. 17, 2824-2832 (1998).
M. D. Tissandier, S. J. Singer, and J. V. Coe, ibid., 104, No. 18, 752-757 (2000).
J.-K. Kuo, J. V. Coe, S. J. Singer, Y. B. Band, and L. Ojamae, J. Chem. Phys., 114, No. 6, 2527-2540 (2001).
L. Ojamae, I. Shavitt, and S. J. Singer, ibid., 109, No. 13, 5547-5564 (1998).
M. V. Kirov, Zh. Strukt. Khim., 37, No. 1, 98-106 (1996).
C. J. Tsai and K. D. Jordan, J. Chem. Phys., 95, No. 5, 3850-3853 (1991).
M. V. Kirov, Zh. Strukt. Khim., 34, No. 4, 77-82 (1993).
V. R. Belosludov, Yu. A. Dyadin, and M. Yu. Lavrentiev, Theoretical Models of Clathrate Formation [in Russian], Nauka, Novosibirsk (1991).
F. H. Stillinger and A. Rahman, J. Chem. Phys., 60, No. 4, 1545-1557 (1974).
F. H. Stillinger, Adv. Chem. Phys., 31, No. 1, 2-101 (1975).
A. A. Vigasin, Zh. Strukt. Khim., 24, No. 1, 116-141 (1983).
M. V. Kirov, ibid., 37, No. 1, 107-115 (1996).
J. R. Stallings, Combinational Group Theory and Topology, Princeton University Press, Princeton, New York (1987).
A. Yu. Olshanskii, Soros Educational Journal, No. 1, 117-122 (1996).
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Kirov, M.V. Sequential Orientation of Cycles in Gas Hydrate Frameworks. Journal of Structural Chemistry 43, 274–283 (2002). https://doi.org/10.1023/A:1019600524366
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DOI: https://doi.org/10.1023/A:1019600524366