Structure and vibrational spectra of sulfur hexafluoride encapsulated α-cyclodextrin

Journal of Molecular Structure: THEOCHEM

Volumn 957, Issue 1-3, 2010, Pages 77-83

  Pinjari, Rahul V ^a   Gobre, Vivekanand V ^a   Gejji, Shridhar P ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

Density functional; Inclusion complex; Molecular electron density topography; Sulfur hexafluoride; Vibration spectra; Cyclodextrin

Indexed keywords

EID: 84961983650     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.07.010     Document Type: Article

References (39)

1. Szejtli J. Chem. Rev. 1998, 98:1743.
2. Connors K.A. Chem. Rev. 1997, 97:1325.
3. Lipkowitz K.B. Chem. Rev. 1998, 98:1829.
4. Pinjari R.V., Joshi K.A., Gejji S.P. J. Phys. Chem. A 2006, 110:13073.
5. Pinjari R.V., Joshi K.A., Gejji S.P. J. Phys. Chem. A 2007, 111:13583.
6. Lagona J., Mukhopadhyay P., Chakrabarti S., Isaacs L. Angew. Chem., Int. Ed. 2005, 44:4844.
7. Kim J., Jung I.-S., Kim S.-Y., Lee E., Kang J.-K., Sakamoto S., Yamaguchi K., Kim K. J. Am. Chem. Soc. 2000, 122:540.
8. Oh K.S., Yoon J., Kim K.S. J. Phys. Chem. B 2001, 105:9726.
9. Day A.I., Arnold A.P., Blanch R.J., Snushall B. J. Org. Chem. 2001, 66:8094.
10. Pinjari R.V., Gejji S.P. J. Phys. Chem. A 2008, 112:12679.
11. Pinjari R.V., Gejji S.P. J. Phys. Chem. A 2009, 113:1368.
12. Mohanty J., Bhasikuttan A.C., Nau W.M., Pal H. J. Phys. Chem. B 2006, 110:5132.
13. Buschmann H.-J., Schollmeyer E. J. Incl. Phenom. Macrocycl. Chem. 1997, 29:167.
14. Buschmann H.-J., Jansen K., Schollmeyer E. J. Incl. Phenom. Macrocycl. Chem. 2000, 37:231.
15. Buschmann H.-J., Mutuhac L., Schollmeyer E. J. Incl. Phenom. Macrocycl. Chem. 2006, 56:363.
16. Jeon W.S., Moon K., Park S.H., Chun H., Ko Y.H., Lee J.Y., Lee E.S., Samal S., Selvapalam N., Rekharsky M.V., Sindelar V., Sobransingh D., Inoue Y., Kaifer A.E., Kim K. J. Am. Chem. Soc. 2005, 127:12984.
17. Moghaddam S., Inoue Y., Gilson M.K. J. Am. Chem. Soc. 2009, 131:4012.
18. Buschmann H.-J., Schollmeyer E., Mutuhac L. Thermochim. Acta 2003, 399:203.
19. Pinjari R.V., Khedkar J.K., Gejji S.P. J. Incl. Phenom. Macrocycl. Chem. 2010, 66:371.
20. Liu Y., Li X.-Y., Zhang H.-Y., Li C.-J., Ding F. J. Org. Chem. 2007, 72:3640.
21. Liu Y., Chen-Ke F., Zhang H.-Y., Wu W.-J., Shi J. J. Org. Chem. 2007, 72:280.
22. Ooya T., Inoue D., Choi H.S., Kobayashi Y., Loethen S., Thompson D.H., Ko Y.H., Kim K., Yui N. Org. Lett. 2006, 8:3159.
23. Fusaro L., Locci E., Lai A., Luhmer M. J. Phys. Chem. B 2008, 112:15014.
24. Fusaro L., Locci E., Lai A., Luhmer M. J. Phys. Chem. B 2009, 113:7599.
25. Pinjari R.V., Gejji S.P. J. Phys. Chem. A 2010, 114:2338.
26. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., 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, V. Bakken, 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, M.C. Strain, O. 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. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford CT, 2004.
27. Becke A.D. Phys. Rev. A 1988, 38:3098.
28. Lee C., Yang W., Parr R.G. Phys. Rev. B 1988, 37:785.
29. Xu X., Goddard W.A. Proc. Natl Acad. Sci. USA 2004, 101:2673.
30. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford CT, 2009.
31. Balanarayan P., Gadre S.R. J. Chem. Phys. 2003, 119:5037.
32. Bader R.F.W. Atoms in Molecules: A Quantum Theory 1990, Oxford University Press, Oxford, UK.
33. Matta D.F., Boyd R.J. The Quantum theory of Atoms in Molecules. In An Introduction to the Quantum Theory of Atoms in molecules 2007, 1-34. Wiley-VCH, Weinheim. D.F. Matta, R.J. Boyd (Eds.).
34. Limaye A.C., Gadre S.R. Curr. Sci. 2001, 80:1298.
35. Dhumal N.R., Gejji S.P. Chem. Phys. Lett. 2004, 393:355.
36. Joshi K.A., Gejji S.P. Chem. Phys. Lett. 2005, 415:110.
37. Pinjari R.V., Joshi K.A., Gejji S.P. Spectrochim. Acta, Part A, Mol. Biomol. Spectrosc. 2008, 71:1056.
38. Wolinski K., Hilton J.F., Pulay P. J. Am. Chem. Soc. 1990, 112:8251.
39. Miertus S., Scrocco E., Tomasi J. Chem. Phys. 1981, 55:117.