Infrared Matrix Isolation Studies and Ab Initio Calculations of Acetohydroxamic Acid

Polish Journal of Chemistry

Volumn 77, Issue 11, 2003, Pages 1587-1598

  Saldyka M ^a   Mielke, Z ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

ab initio calculations; Acetohydroxamic acid; Infrared spectra; Matrix isolation

Indexed keywords

ACETOHYDROXAMIC ACID; ARGON; NITROGEN;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; HYDROGEN BOND; INFRARED SPECTROSCOPY; MATHEMATICAL COMPUTING; MOLECULAR STABILITY; THEORETICAL STUDY;

EID: 1842478973     PISSN: 01375083     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (46)

1. Miller M.J., Chem. Rev., 89, 1563 (1989).
2. Steward A.O. and Martin J.G., J. Org. Chem., 54, 1221 (1989).
3. Bauer L. and Exner O., Angew. Chem., Int. Ed. Engl., 13, 376 (1974) and references therein.
4. Kaczka E.A., Gitterman C.O., Dulaney E.L. and Falkers K., Biochemistry, 1, 340 (1962).
5. (a) Brown D.A., Glass W.K., Mageswaran R. and Girmay B., Magn. Reson. Chem., 26, 970 (1988);
6. (b) Brown D.A., Glass W.K., Mageswaran R. and Mohammed S.A., Magn. Reson. Chem., 29, 40 (1991).
7. Brown D.A., Coogan R.A., Fitzpatrick N.J., Glass W.K., Abukshima D.E., Ahlgrén M., Smolander K., Pakkanen T.T., Pakkanen T.A. and Peräkylä M., J. Chem. Soc., Perkin Trans. 2, 2673 (1996).
8. Artemenko A.I., Anufriev E.K., Tikunova L. and Exner O., Zh. Prikl. Spektr., 33, 131 (1980).
9. Exner O. and Horak M., Coll. Czech. Chem. Commun., 24, 968 (1959).
10. Hadži D. and Prevoršek D., Spectrochim. Acta, 10, 38 (1957).
11. Fitzpatrick N.J. and Mageswaran R., Polyhedron, 8, 2255 (1989).
12. Turi L., Dannenberg J.J., Rama J.B. and Ventura O.N., J. Phys. Chem., 96, 3709 (1992).
13. Ventura O.N., Rama J.B., Turi L. and Dannenberg J.J., J. Am. Chem. Soc., 115, 5754 (1993).
14. Remko M., Mach P., Schleyer P.v.R. and Exner O., J. Mol. Struct. (THEOCHEM), 279, 139 (1993).
15. Ventura O.N., Rama J.B., Turi L. and Dannenberg J.J., J. Phys. Chem., 99, 131 (1995).
16. (a) Wu D.-H. and Ho J.-J., J. Phys. Chem. A, 102, 3582 (1998);
17. (b) Guo J.X. and Ho J.-J., J. Phys. Chem. A, 103, 6433 (1999);
18. (c) Yen S.-J., Lin C.-Y. and Ho J.-J., J. Phys. Chem. A, 104, 11771 (2000).
19. Sałdyka M. and Mielke Z., J. Phys. Chem. A, 106, 3714 (2002).
20. Sałdyka M. and Mielke Z., Chem. Phys. Lett., 371, 713 (2003).
21. Frish M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheesman J.R., Zakrzewski V.G., Montgomery Jr., J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Otriz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts M., Martin R.L., Fox D.J., Keith T., Al.-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.M., Andres J.L., Gonzales C., Head-Gordon M., Replogle E.S. and Pople J.A., GAUSSIAN 98, REVISION A.9, Gaussian Inc., Pittsburgh PA, 1998.
22. Moller C. and Plesset M.S., Phys. Rev., 46, 618 (1934).
23. Binkley J.S. and Pople J.A., Int. J. Quantum Chem., 9, 229 (1975).
24. Becke A.D., J. Chem. Phys., 98, 1372 (1993).
25. Becke A.D., J. Chem. Phys., 98, 5648 (1993).
26. Becke A.D., Phys. Rev. A, 38, 3098 (1988).
27. Lee C., Yang W. and Parr R.G., Phys. Rev. B, 37, 785 (1988).
28. Johnson B.C., Gill P.M.W. and Pople J.A., J. Chem. Phys., 98, 5612 (1993).
29. McLean A.D. and Chandler G.S., J. Chem. Phys., 72, 5639 (1980).
30. Krishnan R., Binkley J.S., Seeger R.S. and Pople J.A., J. Chem. Phys., 72, 650 (1980).
31. Clark T., Chandrasekhar J., Spitznagel G.W. and Schleyer P.v.R., J. Comput. Chem., 4, 294 (1983).
32. Frish M. and Pople J.A. and Binkley J.S., J. Chem. Phys., 80, 3265 (1984).
33. Withnall R. and Andrews L., J. Phys. Chem., 92, 2155 (1988).
34. (a) Yeo G.A. and Ford T.A., J. Mol. Struct., 217, 307 (1990);
35. (b) Yeo G.A. and Ford T.A., Spectrochim. Acta, 47A, 919 (1991);
36. (c) Yeo G.A. and Ford T.A., Vibrational Spectrosc., 2, 173 (1991).
37. Heikkilä A., Pettersson M., Lundell J., Khriachtchev L. and Räsänen M., J. Phys. Chem. A, 103, 2945 (1999).
38. Knudsen R., Sala O. and Hase Y., J. Mol. Struct., 321, 187 (1994).
39. Ataka S., Takeuchi H. and Tasumi M., J. Mol. Struct., 113, 147 (1984).
40. Mielke Z., Ratajczak H., Wiewiórowski M., Barnes A.J. and Mitson S.J., Spectrochim. Acta, 42A, 63 (1986).
41. Miyazawa T., Shimanouchi T. and Mizushima S.-I., J. Chem. Phys., 29, 611 (1958).
42. Miyazawa T., Shimanouchi T. and Mizushima S.-I, J. Chem. Phys., 24, 408 (1956).
43. Bohn R.B. and Andrews L., J. Phys. Chem., 93, 5684 (1989).
44. (a) Räsänen M., J. Mol. Struct., 101, 275 (1983);
45. (b) Lundell J., Krajewska M. and Räsänen M., J. Phys. Chem., 102, 6643 (1998).
46. Brecker B.H. and Small R.W.H., Acta Cryst. B, 26, 1705 (1970).