Sugars in the gas phase: The conformational properties of erythrose, threose, and erythrulose characterized by quantum chemistry calculations

Journal of Molecular Structure: THEOCHEM

Volumn 858, Issue 1-3, 2008, Pages 113-119

  Aviles Moreno, Juan Ramon ^a   Huet, Thérèse R ^a  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

DFT calculations; Gas phase; Molecular structure; Quantum chemistry; Sugars

Indexed keywords

EID: 43149126552     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.02.031     Document Type: Article

References (36)

1. L. Stryer, Biochemistry, fourth ed., 9th printing, W. H. Freeman and Company, New York, 2000.
2. Simons J.P. C. R. Chimie 6 (2003) 17
3. Simons J.P., Jockusch R.A., Çarçabal P., Hünig I., Kroemer R.T., MacLeod N.A., and Snoeck L.C. Int. Rev. Phys. Chem. 24 (2005) 489
4. Marstokk K.-M., and Møllendal H. J. Mol. Struct. 5 (1970) 205
5. Butler R.A.H., De Lucia F.C., Petkie D.T., Møllendal H., Horn A., and Herbst E. Astrophys. J. Suppl. Ser. 134 (2001) 319
6. Weaver S.L.W., Butler R.A.H., Drouin B.J., Petkie D.T., Dyl K.A., De Lucia F.C., and Blake G.A. Astrophys. J. Suppl. Ser. 158 (2005) 188
7. Rey M., Aviles-Moreno J.R., and Huet T.R. Chem. Phys. Lett. 430 (2006) 121
8. Magneron I., Mellouki A., Le Bras G., Moortgat G.K., Horowitz A., and Wirtz K. J. Phys. Chem. A 109 (2005) 4552
9. Galano A., Alvarez-Idaboy J.R., Ruiz-Santoyo M.E., and Vivier-Bunge A. J. Phys. Chem. A 109 (2005) 169
10. Bacher C., Tyndall G.S., and Orlando J.J. J. Atmos. Chem. 39 (2001) 171
11. Hollis J.M., Jewell P.R., Lovas F., and Remijan A. Astrophys. J. 613 (2004) L45
12. Hollis J.M., Vogel S.N., Snyder L.E., Jewell P.R., and Lovas F. Astrophys. J. 554 (2001) L81
13. Hollis J.M., Lovas F., and Jewell P.R. Astrophys. J. 540 (2000) L107
14. Halfen D.T., Apponi A.J., Woolf N., Polt R., and Ziurys L. Astrophys. J. 639 (2006) 237
15. Ratajczyk T., Pecul M., Sadlej J., and Helgaker T. J. Phys. Chem. A 108 (2004) 2758
16. Dunning T.H. J. Chem. Phys. 90 (1989) 1007
17. Kendall R.A., Dunning T.H., and Harrison R.J. J. Chem. Phys. 96 (1992) 6796
18. Senent M.L. J. Phys. Chem. A 108 (2004) 6286
19. Aviles-Moreno J.R., Demaison J., and Huet T.R. J. Am. Chem. Soc. 128 (2006) 10467
20. Cooper G., Kimmich N., Bellsle W., Sarinanna J., Brabham K., and Garrel L. Nature 414 (2001) 879
21. Lovas F.J., Suenram R.D., Plusquellic D.F., and Møllendal H. J. Mol. Spectrosc. 222 (2003) 263
22. Widicus S.L., Braakman R., Kent IV D.R., and Blake G.A. J. Mol. Spectrosc. 224 (2004) 101
23. Lozynski M., Rusinska-Roszak D., and Mack H.-G. J. Phys. Chem. A 101 (1997) 1542
24. Schöning K., Scholt P., Ghunta S., Wu X., Krishnamurthy R., and Eschenmoser A. Science 290 (2000) 1347
25. Wilds C., Wawrzak Z., Krishnamurthy R., Eschenmoser A., and Egli M. J. Am. Chem. Soc. 124 (2002) 13716
26. Purvis G.D., and Bartlett R.J. J. Chem. Phys. 76 (1982) 1910
27. Raghavachari K., Trucks G.W., Pople J.A., and Head-Gordon M. Chem. Phys. Lett. 157 (1989) 79
28. Karton A., Rabinovich E., and Martin J.M.L. J. Chem. Phys. 125 (2006) 144108
29. Aviles Moreno J.-R., Petitprez D., and Huet T.R. Chem. Phys. Lett. 419 (2006) 411
30. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, 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, O. Strain, M.C. 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.
31. Becke A.D. J. Chem. Phys. 98 (1993) 5648
32. Lee C.T., Yang W.T., and Parr R.G. Phys. Rev. B 37 (1988) 785
33. Bauschlicher C.W., Ricca A., Partridge H., and Langhoff S.R. In: Chong D.P. (Ed). Recent Advances in Density Functional Methods (1997), World Scientific, Singapore 165
34. Montgomery J.A., Frisch M.J., Ochterski J.W., and Petersson G.A. J. Chem. Phys. 110 (1999) 822
35. Curtiss L.A., Redfern P.C., Raghavachari K., Rassolov V., and Pople J.A. J. Chem. Phys. 110 (1999) 4703-4709
36. http://www.synchrotron-soleil.fr/anglais/science-and-users/experiments/a iles/index.htm.