Equatorial and axial hydrogens in heterocyclic six-membered rings: The rotational spectrum of piperazine

Journal of Molecular Structure

Volumn 780-781, Issue SPEC. ISS., 2006, Pages 22-27

  Ottaviani, Paolo ^a   Caminati, Walther ^a   Millemaggi, Aldo ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Conformational equilibria; Molecular beams; Molecular dynamics; Rotational spectroscopy; Six membered ring molecules

Indexed keywords

CONFORMATIONS; MILLIMETER WAVES; MOLECULAR BEAMS; MOLECULAR DYNAMICS; SPECTROSCOPIC ANALYSIS;

CONFORMATIONAL EQUILIBRIA; ROTATIONAL SPECTROSCOPY; SIX-MEMBERED RING MOLECULES;

MOLECULAR STRUCTURE;

EID: 29544438243     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.02.039     Document Type: Article

References (30)

1. E.L. Eliel, and S.H. Wilen Stereochemistry of Organic Compounds 1994 Wiley-Interscience Publication New York
2. J.D. Ewbank, G. Kirsch, and L. Schäfer J. Mol. Struct. 31 1976 39
3. J. Dommen, T. Brupbacher, G. Grassi, and A. Bauder J. Am. Chem. Soc. 112 1990 953
4. J.C. Lopez, J.L. Alonso, and R.N. Villamanan J. Mol. Spectrosc. 147 1986 67
5. U. Spoerel, W. Stahl, W. Caminati, and P.G. Favero Chem. Eur. J. 4 1998 1974
6. R.W. Kitchin, T.B. Malloy, and R.L. Cook J. Mol. Spectrosc. 57 1975 179
7. C.C. Costain, J.E. Parkin, and P.J. Buckley Bull. Am. Phys. Soc. Ser. 2 13 1968 833
8. J.E. Parkin, P.J. Buckley, and C.C. Costain J. Mol. Spectrosc. 89 1981 465
9. H. Ehrlichmann, J.U. Grabow, H. Dreizler, N. Heineking, and M. Andolfatto Z. Naturforsch. A 44 1989 841
10. Q. Shen, and R.L. Hilderbrandt J. Mol. Struct. 54 1979 121
11. Q. Shen, S. Rhodes, Y. Tacheuchi, and K. Tanaka Organometallic 11 1992 1752
12. L.B. Favero, W. Caminati, I. Árnason, and Á. Kvaran J. Mol. Spectrosc. 229 2005 188
13. A.C. Fantoni, R.R. Filgueira, L.M. Boggia, and W. Caminati J. Mol. Spectrosc. 84 1980 493
14. J.J. Sloan, and R. Kewley Can. J. Chem. 47 1969 3453
15. R. Kewley Can. J. Chem. 50 1972 1690
16. J.L. Alonso, W. Caminati, and R. Cervellati J. Mol. Struct. 96 1983 225
17. R.W. Kitchin, T.K. Avirah, T.B. Malloy, and R.L. Cook J. Mol. Struct. 24 1975 337
18. M.A. Letavic, J.T. Barberia, T.J. Carty, J.R. Hardink, J. Liras, L.L. Lopresti-Morrow, P.G. Mitchell, M.C. Noe, L.M. Reeves, S.L. Snow, E.J. Stam, F.J. Sweeney, M.L. Vaughn, and C.H. Yu Bioorg. Med. Chem. Lett. 13 2003 3243
19. Y. Haramoto, T. Yamada, M. Nanasawa, M. Funahashi, J. Hanna, and S. Ujiie Liq. Cryst. 29 2002 1109
20. D. de Boer, I.J. Bosman, E. Hidvégi, C. Manzoni, A.A. Benkö, L.J.A.L. dos Reys, and R.A.A. Maes Forensic. Sci. Int. 121 2001 47
21. M. Davis, and O. Hassel Acta Chem. Scand. 17 1963 1181
22. A. Yokozeki, and K. Kuchitsu Bull. Chem. Soc. Jpn 44 1971 2352
23. A. Parkin, I.D.H. Oswald, and S. Parsons Acta Crystallogr. B 860 2004 219
24. S. Melandri, W. Caminati, L.B. Favero, A. Millemaggi, and P.G. Favero J. Mol. Struct. 352/353 1995 253
25. S. Melandri, G. Maccaferri, A. Maris, A. Millemaggi, W. Caminati, and P.G. Favero Chem. Phys. Lett. 261 1996 267
26. J.K.G. Watson J.R. Durig Vibrational Spectra and Structure vol. 6 1977 Elsevier New York/Amsterdam 1
27. 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, 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 B.02, Gaussian, Inc., Pittsburgh, PA, 2003.
28. J. Kraitchman Am. J. Phys. 21 1953 17
29. W. Caminati, A. Dell'Erba, S. Melandri, and P.G. Favero J. Am. Chem. Soc. 120 1998 5555
30. W. Caminati, L.B. Favero, P.G. Favero, A. Maris, and S. Melandri Angew. Chem. Int. Ed. Engl. 37 1998 792