Temperature-dependent crystal structure analysis of methyl iodide by high-resolution neutron powder diffraction

Zeitschrift fur Kristallographie

Volumn 222, Issue 8, 2007, Pages 416-419

  Ibberson, Richard M ^a   Prager, Michael ^b  

^a RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Methyl iodide; Neutron scattering; Powder diffraction structure analysis; Rotation barrier; TLS

Indexed keywords

EID: 34547556555     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.2007.222.8.416     Document Type: Article

References (15)

1. Takeuchi, H.; Bribes, J.-L.; Harada, I.; Shimanouchi, T.: Raman spectra and crystal structures of mediyl halides. J. Raman Spectrosc. 4 (1976) 235-243.
2. 4, Raman and IR bands. J. Raman Spectrosc. 14 (1983) 77-82.
3. Binbrek, O. S.; Anderson, A.; Andrews, B.; Torrie, B. H.: Raman and infrared spectra of crystalline methyl iodide. J. Raman Spectrosc. 15 (1984) 406-410.
4. Prager, M.; Stanislawski, J.; Häusler, W.: Inelastic incoherent neutron scattering study of methyl rotation in various methyl halides. J. Chem. Phys. 86 (1987) 2563-2575.
5. Kirstein, O.; Prager, M.: The lattice and rotational dynamics of the methyl halides described by pair potentials based on universal force fields. J. Chem. Phys. 120 (2004) 5199-5207.
6. Kawaguchi, T.; Hijikigawa, M.; Hayafuji, Y.; Ikeda, M.; Fukushima, R.; Tomiie, Y.: The crystal structures of methyl bromide and methyl iodide. Bull. Chem. Soc. Jpn. 46 (1973) 53-56.
7. Topas Academic: http://members.optusnet.com.au/alancoelho/.
8. Schomaker, V.; Trueblood, K. N.: On the rigid body motion of molecules in crystals. Acta Cryst. B24 (1968) 63-76.
9. Willis, B. T. M.; Pryor, A. N.: Thermal vibrations in crystallography. Cambridge University Press, Cambridge 1975.
10. Trueblood, K. N.; Dunitz, J. D.: Internal molecular motions in crystals. The estimation of force constants, frequencies and barriers from diffraction data. A feasibility study. Acta Cryst. B39 (1983) 120-133.
11. Horsewill, A. J.: Rotational tunelling in organic molecules. Spectrochim. Acta 48A (1992) 379-403.
12. Demaison, J.; Margulès, L.; Bloggs, J. E.: The Equilibrium C-CI, C-Br, and C-I bond lenguis from ab initio calculations, microwave and infrared spectroscopies, and empirical correlations. Struct. Chem. 14 (2003) 159-174.
13. Le Guennec, M.; Chen, W.; Wlodarczak, G.; Demaison, J.: The millimeterwave spectrum of germyl fluoride: determination and comparison of the effective subsitution, and equilibrium structures. J. Mol. Spectrosc. 150 (1991) 493-510.
14. Sayetat, F.; Fertey, P.; Kessler, M.: An easy method for the determination of Debye temperature from thermal expansion analyses. J. Appl. Cryst. 31 (1998) 121-127.
15. Trevino, S. T.; Prince, E.; Hubbard, C. R.: Refinement of the structure of solid nitromethane. J. Chem. Phys. 76 (1980) 2996-3000.