Diazene, a potential new hydrogen bond donor and acceptor with blue-shifted N-H stretching modes: A theoretical study

Polish Journal of Chemistry

Volumn 83, Issue 5, 2009, Pages 933-942

  Karpfen, A ^a   Liedl, E ^a   Wolschann, P ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

Blue shift; Diazene; Hydrogen bond; MP2; N H stretch

Indexed keywords

EID: 67649651793     PISSN: 01375083     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (39)

1. HobzaP. and Havlas Z., Chem. Phys. Lett, 303, 447 (1999).
2. Gu Y. and Scheiner S., J. Am. Chem. Soc, 121, 9411 (1999).
3. Hobza P. and Havlas Z., Chem. Rev., 100,4253 (2000).
4. Kryachko E.S. and Zeegers-Huyskens T., J. Phys. Chem. A, 105, 7118(2001).
5. Van der Veken B.J., Herrebout W. A., Szostak R., Shchepkin D.N., Havlas Z. and Hobza P., J. Am. Chem. Soc, 123,12290 (2001).
6. Masunov A., Dannenberg J.J. and Contreras R.H., J. Phys. Chem. A, 105, 4737 (2001).
7. Hobza P. and Havlas Z., Theor. Chem. Ace, 108, 325 (2002).
8. Scheiner S. and Kar T., J. Phys. Chem. A, 106,1784 (2002).
9. Li X., Liu L. and Schlegel H.B., J. Am. Chem. Soc, 124, 9639 (2002). lO.Hermansson K., J. Phys. Chem. A, 106,4695 (2002).
10. Qian W. and Krimm S., J. Phys. Chem. A, 106, 6628 (2002).
11. Melikova S.M., Rutowski K.S., Rodziewicz P. and Koll A., Chem. Phys. Lett., 352,301 (2002).
12. Alabugin I.V., Manoharan M., Peabody S. and Weinhold R, J. Am. Chem. Soc, 125, 5973 (2003).
13. Pejov K. and Hermansson K., J. Chem. Phys., 119, 313 (2003). 15.Barnes A.J., J. Mol Struct, 704, 3 (2004).
14. Joseph J. and Jemmis E.D., J. Am. Chem. Soc, 129,4620 (2007).
15. Zeegers-Huyskens T., J. Mol. Struct, 704, 3 (2007).
16. Karpfen A. and Kryachko E.S., J. Phys. Chem. A, 107, 9724 (2003).
17. Karpfen A., J. Mol. Struct. (Theochem), 710, 85 (2004).
18. Karpfen A. and Kryachko E.S., Chem. Phys., 310, 77 (2005).
19. Karpfen A. and Kryachko E.S., J. Phys. Chem. A, 109, 8930 (2005).
20. Karpfen A., J. Mol. Struct. (Theochem), 757,203 (2005).
21. Kryachko E.S. and Karpfen A., Chem. Phys., 329, 313 (2006).
22. Karpfen A. and Kryachko E.S., Chem.. Phys. Lett, 431,428 (2006).
23. Karpfen A. and Kryachko E.S., J. Phys. Chem. A, 111, 8177 (2007).
24. Li A.Y., J. Phys. Chem. A, 110, 10805 (2006).
25. Liu Y., Liu W., Li H., Liu J. and Yang Y., J. Phys. Chem. A, 110, 11760 (2006).
26. Yang Y, Zhang W. and Gao X., Intern. J. Quantum Chem., 106,1199 (2006).
27. Liu Y, Liu W., Li H., Yang Y. and Cheng S., J. Mol. Struct. (Theochem), 778, 49 (2006).
28. Solimannejad M. and Scheiner S., J. Phys. Chem. A, 111, 4431 (2007).
29. Li A.Y., J. Chem. Phys., 126,154102 (2007).
30. Solimannejad M. and Scheiner S., J. Phys. Chem. A, 112,4120 (2008).
31. Liu Y., Intern. J. Quantum Chem., 108, 1123 (2008).
32. 34.Trung N.T., Hue T.T., Nguyen M.T. and Zeegers-Huyskens T., Phys. Chem. Chem. Phys., 10, 5105 (2008).
33. 35.Hobza P., Intern. J. Quantum Chem., 90, 1071 (2002).
34. Lu. P., Liu G.-Q. and Li J.C., J. Mol. Struct. (Theochem), 723, 95 (2005).
35. McKee M.L., J. Phys. Chem., 97, 13608 (1993).
36. Angeli C., Cimiraglia R. and Hofinann H.J., Chem. Phys. Lett., 259, 276 (1996).
37. Jursic B.S., Chem. Phys. Lett, 261, 13 (1996).
38. Song H.-J., Xiao H.-M. and Dong H.-S., J. Phys. Chem. A, 110, 6178 (2006).
39. 41.Frisch M.J. etal, Gaussian 03 (Revision C.02), Gaussian, Inc., Pittsburgh PA, 2003.