Stability and structure of van der Waals complexes between argon and sulfur containing compounds: tetrahydrothiophene–argon

Abstract

The free-jet rotational spectra of the normal and ³⁴S isotopic species of tetrahydrothiophene (THT)–argon have been investigated with either an absorption millimetre-wave or a Fourier-transform microwave spectrometer in the 60–78, and 6–18.5 GHz frequency ranges, respectively. Analysis of the rotational constants has provided two mathematically possible locations for the Ar atom, above or below the ring of THT. The determined distance Ar–CM_THT is R=3.912(8) Å, the Ar–CM_THT–S angle is ϑ=80.1(16)° and the two possible values of the dihedral angle Ar–CM_THT–S–C₄ are φ=69.5(12)° or 98.5(13)°. From the centrifugal distortion constant D_J the dissociation energy of the complex has been estimated to be 2.1 kJ mol^-1.

References

1. J. B. Anderson, R. P. Andres and J. B. Fenn, in Advances in Chemical Physics, ed. J. Ross, Interscience, New York, 1966, vol. X, pp. 275–317.
2. See e.g.P. Hobza and R. Zahradnik, Intermolecular Complexes, Academia, Prague, 1988.
3. R. P. A. Bettens, R. M. Spycher and A. Bauder, Mol. Phys., 1995, 86, 487.
4. R. A. Collins, A. C. Legon and D. J. Millen, J. Mol. Struct. (THEOCHEM), 1986, 135, 435.
5. Y. Xu and W. Jäger, J. Chem. Phys., 1997, 106, 7968.
6. A. C. Legon and D. G. Lister, Chem. Phys. Lett., 1992, 189, 149.
7. F. Lorenzo, A. Lesarri, J. C. López and J. L. Alonso, Chem. Phys. Lett., 1998, 286, 272.
8. W. Caminati, P. G. Favero, S. Melandri and J. Makarewicz, Mol. Phys., 1997, 91, 663.
9. J. L. Alonso, F. J. Lorenzo, J. C. Lopez, A. Lesarri, S. Mata and H. Dreizler, Chem. Phys., 1997, 218, 267.
10. A. Maris, S. Melandri, W. Caminati, P. G. Favero and J. Makarewicz, J. Chem. Phys., 1997, 107, 5714.
11. A. Maris, A. C. Fantoni, W. Caminati and P. G. Favero, J. Mol. Spectrosc., 1997, 184, 145.
12. S. Melandri, J. C. Lopez, P. G. Favero, W. Caminati and J. L. Alonso, Chem. Phys., 1998, in press.
13. A. C. Legon and D. G. Lister, Chem. Phys. Lett., 1993, 204, 139.
14. U. Kretschmer, W. Stahl and H. Dreizler, Z. Naturforsch. A, 1993, 48, 1107.
15. A. Kh. Mamleev and N. M. Pozdeev, J. Struct. Chem. (Engl. Transl.), 1969, 10, 643.
16. A. Kh. Mamleev, O. B. Akulinin and N. M. Pozdeev, Zh. Prikl, Spektrosk., 1974, 20, 546; Chem. Abstr., 1974, 81, 7885.
17. N. M. Pozdeev, L. N. Gunderova and A. Kh. Mamleev, Opt. Spektrosk. SSSR, 1976, 40, 773 (444 Engl.).
18. A. Kh. Mamleev and N. M. Pozdeev, Z. Strukt. Khim., 1979, 20, 114 (949 Engl.).
19. M. E. Sanz, J. C. López and J. L. Alonso, J. Phys. Chem. A, 1998, 102, 3681.
20. Z. Nahlovska, B. Nahlovski and H. M. Selp, Acta Chem. Scand., 1969, 23, 3534.
21. D. W. Wertz, J. Chem. Phys., 1965, 51, 2133.
22. T. L. Smithson and H. Wieser, J. Mol. Spectrosc., 1983, 99, 159.
23. S. Melandri, W. Caminati, L. B. Favero, A. Millemaggi and P. G. Favero, J. Mol. Struct., 1995, 352/353, 253.
24. S. Melandri, G. Maccaferri, A. Maris, A. Millemaggi, W. Caminati and P. G. Favero, Chem. Phys. Lett., 1996, 261, 267.
25. J. K. G. Watson, in Vibrational Spectra and Structure, ed. J. R. Durig, Elsevier, New York/Amsterdam, 1977, vol. 6, pp. 1–89.
26. J. Kraitchman, Am. J. Phys., 1953, 21, 17.
27. J. Makarewicz and A. Bauder, Mol. Phys., 1995, 84, 853.
28. D. J. Millen, Can. J. Chem., 1985, 63, 1477.
29. W. G. Read, E. J. Campbell and G. Henderson, J. Chem. Phys., 1983, 78, 3501.