Density functional theory study on lactides: Geometries, IR, NMR and electronic spectra

Journal of Molecular Structure: THEOCHEM

Volumn 816, Issue 1-3, 2007, Pages 13-19

  Wu, Wenpeng ^a   Li, Wenbin ^a   Wang, Lianbin ^a   Zhang, Puyu ^a   Zhang, Jinglai ^a  

^a HENAN UNIVERSITY   (China)

Author keywords

DFT; Electronic spectra; Enantiomer; Lactide; meso

Indexed keywords

EID: 34447632662     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.03.033     Document Type: Article

References (25)

1. Gross R.A., and Kalra B. Science 297 (2002) 803-807
2. Uhrich K.E., Cannizzaro S.M., Langer R.S., and Shakesheff K.M. Chem. Rev. 99 (1999) 3181-3198
3. Tsuji H. Macromol. Biosci. 5 (2005) 569-597
4. Dove A.P., Pratt R.C., Lohmeijer B.G.G., Waymouth R.M., and Hedrick J.L. J. Am. Chem. Soc. 127 (2005) 13798-13799
5. Gorczynski J.L., Chen J., and Fraser C.L. J. Am. Chem. Soc. 127 (2005) 14956-14957
6. Chisholm M.H., Eilerts N.W., Huffman J.C., Iyer S.S., Pacold M., and Phomphrai K. J. Am. Chem. Soc. 122 (2000) 11845-11854
7. Kowalski A., Libiszowski J., Biela T., Cypryk M., Duda A., and Penczek S. Macromolecules 38 (2005) 8170-8176
8. Dove A.P., Gibson V.C., Marshall E.L., Rzepa H.S., White A.J.P., and Williams D.J. J. Am. Chem. Soc. 128 (2006) 9834-9843
9. Ryner M., Stridsberg K., Albertsson A.-C., von Schenck H., and Svensson M. Macromolecules 34 (2001) 3877-3881
10. von Schenck H., Ryner M., Albertsson A.-C., and Svensson M. Macromolecules 35 (2002) 1556-1562
11. Eguiburu J.L., Fernandez-Berridi M.J., Cossi{dotless}́o F.P., and San Román J. Macromolecules 32 (1999) 8252-8258
12. Szczeciński P., Gryff-Keller A., and Molchanov S. J. Org. Chem. 71 (2006) 4636-4641
13. Zhan C.-G., Spencer P.S., and Dixon D.A. J. Phys. Chem. B 108 (2004) 6098-6104
14. Zhan C.-G., Dixon D.A., Sabri M.I., Kim M.-S., and Spencer P.S. J. Am. Chem. Soc. 124 (2002) 2744-2752
15. Zhang J.L., Wu W.P., and Cao Z.X. J. Mol. Struct. (Theochem) 756 (2005) 79-85
16. Zhang J.L., Wu W.P., Wang L.B., and Cao Z.X. Chinese J. Struct. Chem. 24 (2005) 885-894
17. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785-789
18. Miehlich B., Savin A., Stoll H., and Preuss H. Chem. Phys. Lett. 157 (1989) 200-206
19. Becke A.D. J. Chem. Phys. 98 (1993) 5648-5652
20. Dodds J.L., McWeeny R., and Sadlej A.J. Mol. Phys. 41 (1980) 1419-1430
21. Wolinski K., Hilton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251-8260
22. M.J. Frisch, G.W. Trucks, H.B. Schegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A.Jr. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Peterson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Sefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Chahacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.11. Gaussian, Inc.: Pittsburgh, PA, (2001).
23. van Hummel G.J., Harkema S., Kohn F.E., and Feijen J. Acta Crystallogr. B 38 (1982) 1679-1681
24. Kricheldorf H.R., Boettcher C., and Tonnes K.U. Polymer 33 (1992) 2817-2824
25. Liu J., and Yang H.-R. HEBEIHUAGONG 4 (1998) 16-17 (in Chinese)