- PII
- 10.31857/S0044453724070116-1
- DOI
- 10.31857/S0044453724070116
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 98 / Issue number 7
- Pages
- 88-98
- Abstract
- Журнал физической химии, Природа литиевой связи в комплексах H3N…LiHal (Hal = F, Cl, Br) по данным квантово-химических расчетов
- Keywords
- Date of publication
- 12.09.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 10
References
- 1. Gilli G., Gilli P. The nature of the hydrogen bond. Oxford: University Press, U.K. 2009.
- 2. Peris E., Lee J.C. Jr., Rambo J., Eisenstein O., Crabtree R.H. // J. Am. Chem. Soc. 1995. V. 117. P. 3485.
- 3. Wessel J., Lee J.C. Jr., Peris E., et al. // Angew. Chem. Int. Ed. Engl. 1995. V. 34. P. 2507.
- 4. Metrangolo P., Resnati G. // Chem. Eur. J. 2001. V. 7. P. 2511.
- 5. Alkorta I., Sanchez-Sanz G., Elguero J., Del Bene J.E. // J. Phys. Chem. A 2012. V. 116. P. 2300.
- 6. Isaev A.N. // Chem. Phys. Lett. 2021. V. 763. 138195.
- 7. Wang W., Ji B., Zhang Y. // J. Phys. Chem. A 2009. V. 113. P. 8132.
- 8. Isaev A.N. // Russ. J. Phys. Chem. A 2023. V. 97. P. 955.
- 9. Murray J.S., Lane P., Politzer P. // Int. J. Quantum Chem. 2007. V. 107. P. 2286.
- 10. Del Bene J.E., Alkorta I., Sanchez-Sanz G., Elguero J. // J. Phys. Chem. A 2011. V. 115. P. 13724.
- 11. Scheiner S. // Int. J. Quantum Chem. 2013. V. 113. P. 1609.
- 12. Murray J.S., Lane P., Politzer P. // J. Mol. Model. 2009. V. 15. P. 723.
- 13. Southern S.A., Bryce D.L. // J. Phys. Chem. A 2015. V. 119. P. 11891.
- 14. Das A., Arunan E. // Phys. Chem. Chem. Phys. 2023. V. 25. P. 22583.
- 15. Kollman P.A., Liebman J.F., Allen L.C. // J. Am. Chem. Soc. 1970. V. 92. P. 1142.
- 16. Latajka Z., Scheiner S. // J. Chem. Phys. 1984. V. 81. P. 4014.
- 17. Latajka Z., Ratajczak H., Morokuma K., Orville-Thomas W.J. // J. Molec. Structure 1986. V. 146. P. 263.
- 18. Szczśniak M.M., Kurnig I.J., Scheiner S. // J. Chem. Phys. 1988. V. 89. P. 3131.
- 19. Lipkowski P., Grabowski S.J. // Chem. Phys. Lett. 2014. V. 591. P. 113.
- 20. Clark T., Hennemann M., Murray J.S., Politzer P. // J. Mol. Model. 2007. V. 13. P. 291.
- 21. Politzer P., Riley K.E., Bulat F.A., Murray J.S. // Theor. Chem. 2012. V. 998. P. 2.
- 22. Politzer P., Murray J.S., Clark T. // Phys. Chem. Chem. Phys. 2013. V. 15. P. 11178.
- 23. Jeffrey G.A., Saenger W. Hydrogen bonding in biological structures. Berlin: Springer-Verlag. 1990.
- 24. Kollman P. // J. Am. Chem. Soc. 1977. V. 99. P. 4875.
- 25. Murray J.S., Lane P., Clark T., et al. // J. Mol. Model. 2012. V. 18. P. 541.
- 26. Rosokha S.V., Vinakos M.K. // Phys. Chem. Chem. Phys. 2014. V. 16. P. 1809.
- 27. Wolters L.P., Bickelhaupt F.M. // ChemistryOpen 2012. V. 1. P. 96.
- 28. Riley K.E., Hobza P. // J. Chem. Theory Comput. 2008. V. 4. P. 232.
- 29. Deepa P., Pandiyan B.V., Kolandaivel P., Hobza P. // Phys. Chem. Chem. Phys. 2014. V. 16. P. 2038.
- 30. Frisch M.J., Trucks G.W., Schlegel H.B., et al. //Gaussian 09, Revision D.01, Gaussian, Inc., Wallingford CT, 2009.
- 31. Moller C., Plesset M.S. // Phys. Rev. 1934. V. 46. P. 618.
- 32. Kendall R.A., Dunning T.H. Jr., Harrison R.J. // J. Chem. Phys. 1992. V. 96. P. 6796.
- 33. Frisch M.J., Pople J.A., Binkley J.S. // Ibid. 1984. V. 80. P. 3265.
- 34. Reed A.E., Weinhold F., Curtiss L.A., Pochatko D.J. // Ibid. 1986. V. 84. P. 5687.
- 35. Reed A.E., Curtiss L.A., Weinhold F. // Chem. Rev. 1988. V. 88. P. 899.
- 36. Ditchfield R. // Mol. Phys. 1974. V. 27. P. 789.
- 37. Wolinski K., Hilton J.F., Pulay P. // J. Am. Chem. Soc. 1990. V. 112. P. 8251.
- 38. Lu T., Chen F. // J. Comp. Chem. 2012. V. 33. P. 580.
- 39. Bader R.F.W. // Chem. Rev. 1991. V. 91. P. 893.
- 40. Bader R.F.W. Atoms in Molecules, a Quantum Theory. Oxford: Clarendon Press. 1993.
- 41. Schmidt M.W., Baldridge K.K., Boatz J.A., et al. // J. Comput. Chem. 1993. V. 14. P. 1347.
- 42. Gordon M.S., Schmidt M.W. in: C.E. Dykstra, G. Frenking, K.S. Kim, G.E. Scuseria (Eds.), Theory and Applications of Computational Chemistry: the first forty years, Asterdam: Elsevier, 2005. P. 1167.
- 43. McDowell S.A.C., Marcellin R.C. // J. Chem. Phys. 2010. V. 133. P. 144307.
- 44. McDowell S.A.C., Hill J.A.S.S. // Ibid. 2011. V. 135. P. 164303.
- 45. Cubero E., Orozko M., Luque F. // Chem. Phys. Lett. 1999. V. 310. P. 445.
- 46. Qian W., Krimm S. // J. Phys. Chem. A 2002. V. 106. P. 6628.
- 47. Alabugin I.V., Manoharan M., Peabody S., Weinhold F. // J. Am. Chem. Soc. 2003. V. 125. P. 5973.
- 48. Grabowski S.J. // J. Phys. Chem. A 2011. V. 115. P. 12789.
- 49. Bent H.A. // Chem. Rev. 1961. V. 61. P. 275.
- 50. Li X., Zeng Y., Zhang X.-Y., et al. // J. Mol. Model. 2011. V. 17. P. 757.
- 51. Yuan K., Liu Y., Lu L., et al. // Chin. J. Chem. 2009. V. 27. P. 697.
- 52. Mó O., Yánez M., Elguero J. // J. Mol. Struct. (Theochem) 1994. V. 314. P. 73.
- 53. Espinosa E., Molins E., Lecomte C. // Chem. Phys. Lett. 1998. V. 285. P. 170.
- 54. Cremer D., Kraka E. // Angew. Chem., Int. Ed. Engl. 1984. V. 23. P. 627.
- 55. Morokuma K., Kitaura K. in: Molecular Interactions. Wiley: New York, 1980. P. 21.
- 56. Salai Cheettu Ammal S., Venuvanalingam P. // J. Chem. Soc., Faraday Trans. 1998. V. 94. P. 2669.
