Journal of the Korea Institute of Military Science and Technology (한국군사과학기술학회지)

The Korea Institute of Military Science and Technology (한국군사과학기술학회)
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A Review of the Theoretical Prediction of Nitrogen Clusters

질소클러스터 이론예측

  • 이준웅 (한국과학기술정보연구원)
  • Published : 2003.09.01
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Abstract

Polynitrogen molecules are of great interest as potential high energy-density materials, and hence such structures of various isomers of nitrogen clusters have been calculated using molecular modeling techniques by the researchers from various sectors of scientific institutions. In this article, the predicted meta-stable structures of these hypothetical molecules have been thoroughly reviewed.

Keywords

References

  1. Bell, P.M., Mao, H.K. and Hemley, R.J., Physica B, 139 p.16 (1986)
  2. Reichlin, R., Schiferl, D., Martin, S., Vanderborgh, C. and Mills, R.L., Phys. Rev. Lett., 55, p.1464 (1985)
  3. McMahan, A.K. and Lesar, R., Phys. Rev. Lett, 54, 1929, (1985)
  4. Martin, R.M. and Needs, R.J., Phys. Rev. B, 34, 5082 (1986)
  5. Mailhiot, C., Yang, L.H. and McMahan, A.K., Phys. Rev. B, 46, p.14419 (1992)
  6. Christe, K.O., William, W.W., Sheehy, J.A., Boatz, J.A., Angew. Chem Int. Ed., 38, (13/14), p.2004 (1999)
  7. Manaa, M.R., Chem. Phy. Lett, 331, 262 (2000)
  8. Li, Q.S., Wang, L.J., Xu, W.G., , Theor. Chem. Acc. , 104, p.67 (2000)
  9. Dorsett, H., White, A., DSTO-4D-0253, U.S. 2002
  10. 조수경 '분자모델링을 이용한 화약 연구', GWSD-419-940524, 국방과학연구소 (1994)
  11. Hehre, W.J., Radom, L., Schleyer, P.V.R., Pople, J.A., John Wiley & Sons, New York, (1986)
  12. Cramer, C,J., 'Essentials of Computa-tional Chemistry', John Wiley & Sons, Ltd. (2002)
  13. Eliel, E.L. and Wilen, S.H., Stereochemistry of Organic Compounds', John Wiley & Sons, Ltd. (2002)
  14. Li, Q.S., Wang, L.J., Xu, W.G., , Theor. Chem. Acc. , 104, p.67 (2000)
  15. Lauderdale, W., Stanton, J,F., Bartlett, U.J., J. Phys. Chem, , 96, p.1173 (1992)
  16. Wright, J,S., J. Americal Chemical Society, /96:15/ July 24, 1974
  17. Schustorovich, E.M., Zh. Strukt. Khim. 10, (159), p.947 (1969)
  18. Trinquier, J.P., Malrieu, Daudey, J.P., Phys. Lett., 80, p.552 (1981)
  19. Cacace, F., de Petris, G. and Troiani, A., Science, 295, p.480 (2002)
  20. Gludhovtsev. M.N., Schleyer, P.v.R., Int. J. Quantum Chemistry, 46, p.119 (1993)
  21. Francel, M.M., Chesick, J.P., J. Phys. Chem., 94, p.526 (1990)
  22. Lee, T.J., Rice J.E., J. Chem. Phys., 94 (2), p.15 (1991)
  23. Bartlett, R.J., http://www.qtp.ufl.edu/-bartlett/polynitrogen.doc.gz
  24. Engelke, R., J. Phys. Chem., 93, p.5722 (1989)
  25. Engelke, R., J. Phys. Chem, 96, p.10789 (1992)
  26. Vogler, A., Wright, R.E., Kunkeley, H., Angew. Chem. Int. Ed., 19, p.717 (1980)
  27. Wang, L.J., Warburton, P. and Mezey, P.G., J. Phys. Chem. A, 106, p.2748 (2002)
  28. Schultz, S., Gillan, E.G., Ross, J.L., Rogers, L.M. Rogers, R.D. and Barron, A.R., Organometallics, 15, p.4880 (1996)
  29. Eaton, P.E. and Cole, T.W., J. Am. Chem. Soc., 86, p.3157 (1964)
  30. Vlahacos, C.P., Hameka, H.F. and Jensen, J.O., Chem. Phys. Lett., 259, p.283 (1996)
  31. Eaton, P.E., Angew. Chem. Int. Ed. Engl., 31, p.1421 (1992)
  32. Yildirim, T., Gehring, P.M., Neumann, D.A, Eaton, P.E. and Emrick, T., Phys. Rev. Lett., 78, p.4938 (1997)
  33. Lukin, K., Li, J., Gilaridi, R. and Eaton, P.E., Angew. Chem. Int. Ed. Engl., 35, p.864 (1996)
  34. Tsanaktsidis, J., Adv. Strain Org. Chem., 6, p.67 (1997)
  35. Trinquier, G., Malreau, J.-P. and Daudey, J.- P., Chem. Phys. Lett., 80, p.552 (1981)
  36. Schmidt, M.W. and Gordon, M.S., Inorg. Chem., 24, p.4503 (1985)
  37. Engelke, R. and Stine, J.R., J. Phys. Chem., 94, p.5689 (1990)
  38. Stine, J.R., 'Prediction of Crystal Densities of Organic Explosives by Group Additivity', Los Alamos Report LA-8029 (1981)
  39. Leininger, M.L., Sherrill, C.D. and Schaefer, J.F., J. Phys. Chem., 99, p.2324 (1995)
  40. Gimarc, B.M. and Zhao, M., Inorg. Chem., 35, p.3289 (1996)
  41. Nguyen, M.T. and Ha, T.-K., Chem. Ber., 129, p.1157 (1996)
  42. Glukhovtsev, M.N., Jiao, H. and Schleyer, P., Inorg. Chem, 35, p.7124 (1996)
  43. Tian, A., Ding, F., Zhang, L., Xie, Y. and Schaefer, H.F., J. Phys. Chem. A, 101, p.1946 (1997)
  44. Gagliardi, L., Evangelisti, S., Widmark, P.-O. and Roos, B.O., Theor. Chem. Acc., 97, p.136 (1997)
  45. Leininger, M.L., Van Huis, T.J. and Schaefer, J.F., J. Phys. Chem. A, 101, p.4460 (1997)
  46. Gagliardi, L., Evangelisti, S., Roos, B.O. and Widmar, P.-O., J. Mol. Struct., 428, p.1 (1998)
  47. Kriste, K.O., Dixon, D.A., Mclemore, D., Wilson, W.W., Sheehy, J.A. and Boatz, J.A., J Fluorine Chem., 101, p.151 (2000)
  48. Gagliardi, L., Evangelisti, S. and Roos, R.D., J. Chem. Phys., 114 (24), p.10733 (2001)
  49. Kenneth, S.F., Wilson, J., Bartlett, R.J., J. Phys. Chem. A, 106, p.4639 (2002)
  50. Hawkins,J.M., Meyer,A., Lewis,T.A., Loren, S. and Hollander, F.J., Science, 252 p.312 (1991)
  51. Korkin, A.A., Balkova, A, Bartlett, R.J., Boyd, R.J. and Schleyer, PvR., J. Phys. Chem. 100, p.5702 (1996)
  52. Bittererova, M. and Brinck, T., J. Phys. Chem. A, 104, p.11999 (2000)
  53. Gagliardi, L., Evangelisti, S., Barone, V. and Roos, B.O., Chem Phys. Lett., 320, p.518 (2000)
  54. Chen, C., Sun, K-C. and Shyu, S-F., J. Mol. Struct. (Theochem), 459, p.113 (1999)
  55. Kkapotke, T.M. and Harcourt, R.D., J. Mol. Struct. (Theochem), 541, p.237 (2001)
  56. Wang, X., Hu. H-R., Tian, A., Wong, N.B., Chien, S-H. and Li, W-K., Chem. Phys. Lett, 329, p.483 (2000)
  57. Nguyen, M.T. and Ha, T-K, Chem. Phys. Lett, 317, p.135 (2000)
  58. Nguyen, M.T. and Ha, T-K., Chem Phys. Lett, 335, p.335 (2001)
  59. Michels, H.H., Montgomery, J.A., Christe, K.O. and Dixon, D.A., J. Phys. chem., 99, p.187 (1995)
  60. Liu, Y.D., Zhao, J.F. and Li, Q.S., Theor. Chem. Acc., 107, p.140 (2002)
  61. i, Q.S. and Zhao, J.F., J. Phys. Chem. A, 106, p.5928 (2002)
  62. Li, Q.S. and Wang, L.J., J. Phys. Chem. A, 105, p.1203 (2001)
  63. Li, Q.S. and Liu, Y.D., Chem. Phys. Lett., 353, p.204 (2002)
  64. Liu, Y.D., Yin, P.G., Guan, J. and Li, Q.S., J. Mol. Struct. (Theochem), 588, p.37 (2002)
  65. Xu, W.G., Li, G.L., Wang, L.J., Li, Q.S., Chem. Phys. Lett., 314, , p.300 (1990)
  66. McMahan, A.K. and Lesar, R., Phys. Rev. Lett., 54, 1929, (1985)
  67. Pyykko, P. and Runeberg, N., J. Mol. Struct. (Theochem), 234, p.279 (1991)
  68. Huisgen, R. and Uzi, I., Chem. Ber., 90, p.2914 (1957)
  69. Chen, L., Li, Q. and Xu, w., J. Mol. Model, 9, p.99 (2003)
  70. Evangelisti, S., Chem. Phys., 218, p21 (1997)
  71. Seidl, E.T. and Schaefer, J.F., J. Chem: Phys., 88 (11), p.7043 (1988)
  72. Kim, K.S., Kim, H.S., Kim, S.W., Jang, J.H. and Schaefer, H.F., J. Am. Chem. Soc, 111, p.7746 (1989)
  73. Kim, K.S., Jang, J.H., Kim, S.W., Min, B.J., J. Chem. Phys., 92 (3), p.1887 (1990)
  74. Engelke, R., J. Org. Chem, 57, p.4841 (1992)
  75. Engelke, R., J. Am. Chem. Soc., 115, p.2961 (1993)
  76. Gagliardi, L. and Pyykko, P., J. Phys. Chem. A, 106, p.4690 (2002)
  77. Wang, L.J., Mezey, P.G. and Zgierski, M.Z., Chem. Phys. Lett., 369 p.386 (2003)