Pure and Applied Chemistry

Pure Appl. Chem., 2013, Vol. 85, No. 1, pp. 225-236

http://dx.doi.org/10.1351/PAC-CON-12-01-04

Published online 2012-07-23

Complexes of sulfuric acid with N,N‑dimethylformamide: An ab initio investigation

References

• 1. F. Weinhold. J. Mol. Struct. 398–399, 181 (1997).
• 2. S. Re, Y. Osamura, K. Morokuma. J. Phys. Chem. A 103, 3535 (1999). (http://dx.doi.org/10.1021/jp984759x)
• 3. D. L. Fiacco, S. W. Hunt, K. R. Leopold. J. Am. Chem. Soc. 124, 4504 (2002). (http://dx.doi.org/10.1021/ja012724w)
• 4. A. R. Bandy, J. C. Ianni. J. Phys. Chem. A 102, 6533 (1998). (http://dx.doi.org/10.1021/jp980270s)
• 5. P. Beichert, O. Schrems. J. Phys. Chem. A 102, 10540 (1998). (http://dx.doi.org/10.1021/jp983332n)
• 6. H. Arstila, K. Laasonen, A. Laasonen. J. Chem. Phys. 108, 1031 (1998). (http://dx.doi.org/10.1063/1.475496)
• 7. M. Hofmann, R. Schleyer. J. Am. Chem. Soc. 116, 4947 (1994). (http://dx.doi.org/10.1021/ja00090a045)
• 8. K. Morokuma, C. Mugurumat. J. Am. Chem. Soc. 116, 10316 (1994). (http://dx.doi.org/10.1021/ja00101a068)
• 9. J. C. Lassegues, B. Desbat, O. Trinquet, F. Cruege. Solid State Ionics 35, 17 (1989). (http://dx.doi.org/10.1016/0167-2738(89)90007-6)
• 10. G. Vaivars, J. Kleperis, A. Azens, C. G. Granqvist, A. Lusis. Solid State Ionics 97, 365 (1997). (http://dx.doi.org/10.1016/S0167-2738(97)00049-0)
• 11. I. V. Fedorova, S. P. Krishtal’, M. G. Kiselev, L. P. Safonova. Russ. J. Phys. Chem. 80, S7 (2006). (http://dx.doi.org/10.1134/S0036024406130024)
• 12. I. V. Fedorova, M. G. Kiselev, L. P. Safonova. Russ. J. Phys. Chem. 85, 1917 (2011). (http://dx.doi.org/10.1134/S0036024411100049)
• 13. I. V. Fedorova, M. G. Kiselev, L. P. Safonova. Russ. J. Phys. Chem. 83, 2103 (2009). (http://dx.doi.org/10.1134/S0036024409120176)
• 14. I. V. Fedorova, M. G. Kiselev, L. P. Safonova. J. Chem. Phys. 134, 174506 (2011). (http://dx.doi.org/10.1063/1.3587106)
• 15. A. D. Becke. J. Chem. Phys. 98, 5648 (1993). (http://dx.doi.org/10.1063/1.464913)
• 16. 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, J. A. Pople. Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA (2003).
• 17. F. B. Van Duijneveldt, J. G. C. M. Van Duijneveldt-van de Rijdt, J. H. Van Lenthe. Chem. Rev. 94, 1873 (1994). (http://dx.doi.org/10.1021/cr00031a007)
• 18. T. Stefan, R. Janoschek. J. Mol. Model. 6, 282 (2000). (http://dx.doi.org/10.1007/PL00010730)
• 19. R. L. Kuczkowski, R. D. Suenram, F. J. Lovas. J. Am. Chem. Soc. 103, 2561 (1981). (http://dx.doi.org/10.1021/ja00400a013)
• 20. G. Schultz, I. Hargittai. J. Phys. Chem. 97, 4966 (1993). (http://dx.doi.org/10.1021/j100121a018)
• 21. M. Souhassou, E. Espinosa, C. Lecompte, R. H. Blessing. Acta Crystallogr., Sect. B 51, 661 (1995). (http://dx.doi.org/10.1107/S0108768194014643)
• 22. R. H. Tromp, S. H. Spieser, G. W. Neilson. J. Chem. Phys. 110, 2145 (1999). (http://dx.doi.org/10.1063/1.477824)
• 23. A. Givan, L. A. Larsen, A. Loewenschuss, C. J. Nielsen. J. Mol. Struct. 509, 35 (1999). (http://dx.doi.org/10.1016/S0022-2860(99)00209-4)
• 24. K. Stopperka, F. Kilz. Z. Anorg. Allg. Chem. 370, 49 (1969). (http://dx.doi.org/10.1002/zaac.19693700106)
• 25. R. F. Majkowski, R. J. Blint, J. C. Hill. Appl. Opt. 17, 975 (1978). (http://dx.doi.org/10.1364/AO.17.000975)
• 26. R. S. Eng, G. Petagana, K. W. Nill. Appl. Opt. 11, 1723 (1978). (http://dx.doi.org/10.1364/AO.17.001723)
• 27. S. M. Chackalackal, F. E. Stafford. J. Am. Chem. Soc. 88, 723 (1966). (http://dx.doi.org/10.1021/ja00956a020)
• 28. J.-H. Lii, N. L. Allinger. J. Comput. Chem. 12, 186 (1991). (http://dx.doi.org/10.1002/jcc.540120208)
• 29. V. S. Dimitrov, J. A. Ladd. J. Mol. Struct. 159, 107 (1987). (http://dx.doi.org/10.1016/0022-2860(87)85010-X)
• 30. X. Zhou, J. A. Krauser, D. R. Tate, A. S. VanBuren, J. A. Clark, P. R. Moody, R. Liu. J. Phys. Chem. 100, 16822 (1996). (http://dx.doi.org/10.1021/jp960170r)
• 31. V. Renugopalakrishnan, G. Madrid, G. Cuevas, A. T. Hagler. Proc. Indian Acad. Sci. (Chem. Sci.) 112, 35 (2000). (http://dx.doi.org/10.1007/BF02704298)
• 32. National Institute of Standards and Technology. NIST Chemistry WebBook -(<http:webbook.nist. gov/chemistry>).
• 33. C. F. Sousa, P. A. Fernandes, M. J. Ramos. J. Phys. Chem. A 111, 10439 (2007). (http://dx.doi.org/10.1021/jp0734474)
• 34. W. Koch, M. C. Holthausen. A Chemist’s Guide to Density Functional Theory, Wiley-VCH, Weinheim (2001).
• 35. V. Kazansky, V. Solkan. Phys. Chem. Chem. Phys. 5, 31 (2003). (http://dx.doi.org/10.1039/b209415k)
• 36. J. C. Ianni, A. R. Bandy. J. Mol. Struct. 497, 19 (2000).
• 37. G. C. Pimentel, A. D. McClean. The Hydrogen Bond, Freeman, San Francisco (1960).
• 38. T. Steiner. Angew. Chem., Int. Ed. 41, 48 (2002). (http://dx.doi.org/10.1002/1521-3773(20020104)41:1<48::AID-ANIE48>3.0.CO;2-U)
• 39. J. Zhao, A. Khalizov, R. Zhng, R. McGraw. J. Phys. Chem. A 113, 680 (2009). (http://dx.doi.org/10.1021/jp806693r)