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A study on tautomerism of dihydroxypyrimidines

Year 2005, Volume: 1 Issue: 4, 55 - 70, 01.02.2005

Alaattin Güven

Abstract

Keywords

-

References

  • Katritzky, A.R.; Lagowski, J.M. Advances in Heterocyclic Chemistry, 1963, 1-81, 311-437.
  • Elguero,J.; Marzin, C.; Katritzky, A.R.; Linda, P. The Tautomerism of Heterocycles; Academic Press: New York, 1976.
  • Beak, P.; Fry, F.S.; Lee, Jr.J.; Steele, F. J. Am. Chem. Soc., 1976, 98, 171.
  • Spinner, E.; Yeoh, G.B. J. Chem. Soc. (B), 1971, 296.
  • Bean, G.P.; Cook, M.J.; Dand, T.M.; Katritzky, A.R.; Lea, J.R. J. Chem. Soc. (B) 1971, 2338.
  • Cook, M.J.; Katritzky, A.R.; Linda, P.; Tack, R.D. J. Chem. Soc., Perkin Trans. 2, 1972, 1295.
  • Cook, M.J.; Katritzky, A.R.; Linda, P.; Tack, R.D. J. Chem. Soc., Perkin Trans. 2, 1973,1080.
  • Lapinski, L.; Nowak, M.J.; Fulara, J.; Les, A.; Adamowicz, L. J. Phys. Chem., 1992, 96, 6250.
  • Katritzky, A.R. Chimia, 1970, 134.
  • Cravero, R.M.; Sierra, M.G.; Olivieri, A.C. J. Chem. Soc., Perkin Trans. 2, 1993, 1067.
  • Parchment, O.G.; Hillier, I.H.; Green, D.V.S., J. Chem. Soc. Perkin Trans. 2, 1991, 799.
  • Anandan, K.; Kolandaivel P.; Kumaresan R. J. Mol. Struct. (Theochem), 2004, 686, 83.
  • Greenwood, J.R.; Capper, H.R.; Allan, R.D.; Johnston, G.A.R. J. Mol. Struct. (Theochem), 1997, 419, 97.
  • Karelson, M.M.; Katritzky, A.R.; Szafran M.; Zerner M.C. J. Org. Chem., 1989, 54, 6030.
  • Yekeler, H. J. Mol. Struct. (Theochem), 2005, 713, 201.
  • Katritzky, A.R.; Karelson, M., J. Am. Chem. Soc., 1991, 113, 1561.
  • El-Nahas, A.M.; Hirao, K. J. Mol. Struct. (Theochem), 1999, 459, 229.
  • Les, A.; Adamowicz, L. J. Am. Chem. Soc., 1990, 112, 1504.
  • Trifonov, R.E.; Alkorta I.; Ostrovskii V.A.; Elguero J. J. Mol. Struct. (Theochem), 2004, 668, 123.
  • Gould, I.R.; Burton, N.A.; Hall, R.J.; Hillier I.H. J. Mol. Struct. (Theochem), 1995, 331, 147.
  • Leszczynski, J.; Sponer J. J. Mol. Struct. (Theochem), 1996, 388, 237.
  • Fabian, W.M.F. J. Compt. Chem., 1991, 12, 17.
  • Marshall, G.J.R.; Walker, J., J. Chem. Soc., 1951,1004.
  • Parry, G.S. Acta Cryst., 1954, 7, 313.
  • Hoogsteen, K. Acta Cryst. 1960, 13, 1050.
  • Katritzky, A.R.; Waring, A.J. J. Chem. Soc., 1962, 1540.
  • Beak, P.; White, M. J. Am. Chem. Soc., 1982, 104, 7073.
  • Tsuchiya, Y.; Tamura, T.; Fujii M.; Ito, M. J. Phys. Chem., 1988, 92, 1760.
  • Scanlan, M.J.¸Hillier, I.H. J. Chem. Soc., Chem. Commun., 1984, 102.
  • Leszczynski, J.; Sponer J. J. Mol. Struct. (Theochem), 1996, 388, 237.
  • Tanner, E.M. Spectrochim Acta, 1956, 8, 9.
  • Brown, D.J.; Teitei, T., Aust. J. Chem., 1964, 17, 567.
  • Kheifets, G.M.; Khromov-Borisov, N.U. Zh. Obshch. Khim., 1964, 34, 3134.
  • Inoue, Y.; Furutachi, N.; Nakanishi, K. J. Org. Chem., 1966, 31, 175.
  • Kheifets, G.M.; Khromov-Borisov, N.U.; Koltsov, A.I. Dokl.Akad. Nauk SSSR, 1966, 166, 635.
  • Kheifets, G.M.; Khromov-Borisov, N.U.; Koltsov, A.I.; Volkenstein, M.V. Tetrahedron, 1967, 23, 1197.
  • Katritzky, A.R.; Popp, F.D.; Waring, A.J. J. Chem. Soc., B, 1966, 565.
  • Hurst, D.T.; McOmie, J.F.W.; Searle, J.B. J. Chem. Soc., 1965, 7116.
  • Budesinsky, Z.; Prikryl, J.; Suatek, E., Collect. Czech. Chem. Commun., 1967, 32, 1637 ().
  • Brederech, H.; Effenberger, F.; Österlin, H.G., Chem. Ber., 1967, 100, 2280.
  • Dewar, M.J.S. J. Am. Chem. Soc., 1985, 107 3902.
  • Stewart, J. J. P. J. Comp. Chem., 1989, 10, 209.
  • Stewart, J.J.P., Fujitsu Limited, Tokyo, Japan. Stewart, J.J.P. J. Mol. Model., 2004, 10, 6.
  • Stewart, J.J.P., Fujitsu Limited, Tokyo, Japan. ChemOffice CambridgeSoft Corporation 100 Cambridge Park Drive Cambridge, MA 021140 USA
  • Beke, A.D., Phys. Rev. A., 1998, 38, 3098.
  • Lee, C.; Wang, Y.; Parr, R.G., Phys. Rev. A., 1988, 45 785.
  • Wong, M.W.; Frisch, M.J.; Wiberg, K.B., J. Am. Chem. Soc., 1991, 113, 4776.
  • James B. Foresman and Æleen Frisch, Exploring Chemistry with Electronic Structure Methods, 2.Ed., Gaussian Inc., Pittsburg, 1996.

A study on tautomerism of dihydroxypyrimidines

Year 2005, Volume: 1 Issue: 4, 55 - 70, 01.02.2005

Alaattin Güven

Abstract

dihidroksipirimidin ve 4,5-dihidroksipirimidine ait tatomerik dengeler yarı-ampirik AM1, PM3, PM5 veyüksek seviyede B3LYP/6-31G(d) ve B3LYP/6-311++G(d,p) yöntemleri kullanarak incelenmifltir.Hesaplamalardan elde edilen sonuçlar mevcut deneysel veriler ile oldukça iyi uyum göstermifltir

Keywords

pirimidin tatomerik denge konformasyon AM1 PM3 PM5 B3LYP IEFPCM COSMO

References

  • Katritzky, A.R.; Lagowski, J.M. Advances in Heterocyclic Chemistry, 1963, 1-81, 311-437.
  • Elguero,J.; Marzin, C.; Katritzky, A.R.; Linda, P. The Tautomerism of Heterocycles; Academic Press: New York, 1976.
  • Beak, P.; Fry, F.S.; Lee, Jr.J.; Steele, F. J. Am. Chem. Soc., 1976, 98, 171.
  • Spinner, E.; Yeoh, G.B. J. Chem. Soc. (B), 1971, 296.
  • Bean, G.P.; Cook, M.J.; Dand, T.M.; Katritzky, A.R.; Lea, J.R. J. Chem. Soc. (B) 1971, 2338.
  • Cook, M.J.; Katritzky, A.R.; Linda, P.; Tack, R.D. J. Chem. Soc., Perkin Trans. 2, 1972, 1295.
  • Cook, M.J.; Katritzky, A.R.; Linda, P.; Tack, R.D. J. Chem. Soc., Perkin Trans. 2, 1973,1080.
  • Lapinski, L.; Nowak, M.J.; Fulara, J.; Les, A.; Adamowicz, L. J. Phys. Chem., 1992, 96, 6250.
  • Katritzky, A.R. Chimia, 1970, 134.
  • Cravero, R.M.; Sierra, M.G.; Olivieri, A.C. J. Chem. Soc., Perkin Trans. 2, 1993, 1067.
  • Parchment, O.G.; Hillier, I.H.; Green, D.V.S., J. Chem. Soc. Perkin Trans. 2, 1991, 799.
  • Anandan, K.; Kolandaivel P.; Kumaresan R. J. Mol. Struct. (Theochem), 2004, 686, 83.
  • Greenwood, J.R.; Capper, H.R.; Allan, R.D.; Johnston, G.A.R. J. Mol. Struct. (Theochem), 1997, 419, 97.
  • Karelson, M.M.; Katritzky, A.R.; Szafran M.; Zerner M.C. J. Org. Chem., 1989, 54, 6030.
  • Yekeler, H. J. Mol. Struct. (Theochem), 2005, 713, 201.
  • Katritzky, A.R.; Karelson, M., J. Am. Chem. Soc., 1991, 113, 1561.
  • El-Nahas, A.M.; Hirao, K. J. Mol. Struct. (Theochem), 1999, 459, 229.
  • Les, A.; Adamowicz, L. J. Am. Chem. Soc., 1990, 112, 1504.
  • Trifonov, R.E.; Alkorta I.; Ostrovskii V.A.; Elguero J. J. Mol. Struct. (Theochem), 2004, 668, 123.
  • Gould, I.R.; Burton, N.A.; Hall, R.J.; Hillier I.H. J. Mol. Struct. (Theochem), 1995, 331, 147.
  • Leszczynski, J.; Sponer J. J. Mol. Struct. (Theochem), 1996, 388, 237.
  • Fabian, W.M.F. J. Compt. Chem., 1991, 12, 17.
  • Marshall, G.J.R.; Walker, J., J. Chem. Soc., 1951,1004.
  • Parry, G.S. Acta Cryst., 1954, 7, 313.
  • Hoogsteen, K. Acta Cryst. 1960, 13, 1050.
  • Katritzky, A.R.; Waring, A.J. J. Chem. Soc., 1962, 1540.
  • Beak, P.; White, M. J. Am. Chem. Soc., 1982, 104, 7073.
  • Tsuchiya, Y.; Tamura, T.; Fujii M.; Ito, M. J. Phys. Chem., 1988, 92, 1760.
  • Scanlan, M.J.¸Hillier, I.H. J. Chem. Soc., Chem. Commun., 1984, 102.
  • Leszczynski, J.; Sponer J. J. Mol. Struct. (Theochem), 1996, 388, 237.
  • Tanner, E.M. Spectrochim Acta, 1956, 8, 9.
  • Brown, D.J.; Teitei, T., Aust. J. Chem., 1964, 17, 567.
  • Kheifets, G.M.; Khromov-Borisov, N.U. Zh. Obshch. Khim., 1964, 34, 3134.
  • Inoue, Y.; Furutachi, N.; Nakanishi, K. J. Org. Chem., 1966, 31, 175.
  • Kheifets, G.M.; Khromov-Borisov, N.U.; Koltsov, A.I. Dokl.Akad. Nauk SSSR, 1966, 166, 635.
  • Kheifets, G.M.; Khromov-Borisov, N.U.; Koltsov, A.I.; Volkenstein, M.V. Tetrahedron, 1967, 23, 1197.
  • Katritzky, A.R.; Popp, F.D.; Waring, A.J. J. Chem. Soc., B, 1966, 565.
  • Hurst, D.T.; McOmie, J.F.W.; Searle, J.B. J. Chem. Soc., 1965, 7116.
  • Budesinsky, Z.; Prikryl, J.; Suatek, E., Collect. Czech. Chem. Commun., 1967, 32, 1637 ().
  • Brederech, H.; Effenberger, F.; Österlin, H.G., Chem. Ber., 1967, 100, 2280.
  • Dewar, M.J.S. J. Am. Chem. Soc., 1985, 107 3902.
  • Stewart, J. J. P. J. Comp. Chem., 1989, 10, 209.
  • Stewart, J.J.P., Fujitsu Limited, Tokyo, Japan. Stewart, J.J.P. J. Mol. Model., 2004, 10, 6.
  • Stewart, J.J.P., Fujitsu Limited, Tokyo, Japan. ChemOffice CambridgeSoft Corporation 100 Cambridge Park Drive Cambridge, MA 021140 USA
  • Beke, A.D., Phys. Rev. A., 1998, 38, 3098.
  • Lee, C.; Wang, Y.; Parr, R.G., Phys. Rev. A., 1988, 45 785.
  • Wong, M.W.; Frisch, M.J.; Wiberg, K.B., J. Am. Chem. Soc., 1991, 113, 4776.
  • James B. Foresman and Æleen Frisch, Exploring Chemistry with Electronic Structure Methods, 2.Ed., Gaussian Inc., Pittsburg, 1996.
There are 48 citations in total.

Details

Primary Language Turkish
Journal Section Articles
Authors

Alaattin Güven This is me

Publication Date February 1, 2005
Published in Issue Year 2005 Volume: 1 Issue: 4

Cite

APA Güven, A. . (2005). A study on tautomerism of dihydroxypyrimidines. Cankaya University Journal of Arts and Sciences, 1(4), 55-70.
AMA Güven A. A study on tautomerism of dihydroxypyrimidines. Cankaya University Journal of Arts and Sciences. February 2005;1(4):55-70.
Chicago Güven, Alaattin. “A Study on Tautomerism of Dihydroxypyrimidines”. Cankaya University Journal of Arts and Sciences 1, no. 4 (February 2005): 55-70.
EndNote Güven A (February 1, 2005) A study on tautomerism of dihydroxypyrimidines. Cankaya University Journal of Arts and Sciences 1 4 55–70.
IEEE A. . Güven, “A study on tautomerism of dihydroxypyrimidines”, Cankaya University Journal of Arts and Sciences, vol. 1, no. 4, pp. 55–70, 2005.
ISNAD Güven, Alaattin. “A Study on Tautomerism of Dihydroxypyrimidines”. Cankaya University Journal of Arts and Sciences 1/4 (February 2005), 55-70.
JAMA Güven A. A study on tautomerism of dihydroxypyrimidines. Cankaya University Journal of Arts and Sciences. 2005;1:55–70.
MLA Güven, Alaattin. “A Study on Tautomerism of Dihydroxypyrimidines”. Cankaya University Journal of Arts and Sciences, vol. 1, no. 4, 2005, pp. 55-70.
Vancouver Güven A. A study on tautomerism of dihydroxypyrimidines. Cankaya University Journal of Arts and Sciences. 2005;1(4):55-70.