Abstract
Molecular dynamics in restricted geometries is known to exhibit anomalous behaviour. Diffusion, translational or rotational, of molecules is altered significantly on confinement in restricted geometries. Quasielastic neutron scattering (QENS) offers a unique possibility of studying molecular motion in such systems. Both time scales involved in the motion and the geometry of motion can be studied using QENS. Molecular dynamics (MD) simulation not only provides insight into the details of the different types of motion possible but also does not suffer limitations of the experimental set-up. Here we report the effect of confinement on molecular dynamics in various restricted geometries as studied by QENS and MD simulations. An example where the QENS technique provided direct evidence of phase transition associated with change in the dynamical behaviour of the molecules is also discussed.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
M Bée, Quasielastic neutron scattering (Adam-Hilger, Bristol, 1988)
W Press, Single particle rotations in molecular crystals (Springer, Berlin, 1981)
S Mitra and R Mukhopadhyay, Curr. Sci. 84, 101 (2003)
M P Allen and D J Tildesley, Computer simulation of liquids (Oxford University Press, Oxford, 1987)
F R Trouw, Spectrochim. Acta, Part A A48, 455 (1992)
A Sahasrabudhe, S Mitra, A K Tripathi, R Mukhopadhyay and N M Gupta, J. Phys. Chem. B106, 10923 (2002)
A K Tripathi, A Sahasrabudhe, S Mitra, R Mukhopadhyay and N M Gupta, Phys. Chem. Chem. Phys. 3, 4449 (2001)
S Mitra, R Mukhopadhyay, A K Tripathi and N M Gupta, Appl. Phys. A74, S1308 (2002)
A Sahasrabudhe, S Mitra, A K Tripathi, R Mukhopadhyay and N M Gupta, Phys. Chem. Chem. Phys. 5, 3066 (2003)
A Sayeed, S Mitra, A V Anil Kumar, R Mukhopadhyay, S Yashonath and S L Chaplot, J. Phys. Chem. B107, 527 (2003)
S Mitra, R Mukhopadhyay, A Sayeed, S Yashonath and S L Chaplot, Appl. Phys. A74, S1317 (2002)
R Mukhopadhyay, A Sayeed, S Mitra, A V Anil Kumar, Mala N Rao, S L Chaplot and S Yashonath, Phys. Rev. E66, 061201 (2002)
R Mukhopadhyay, A Sayeed, Mala N Rao, A V Anil Kumar, S Mitra, S Yashonath and S L Chaplot, Chem. Phys. 292, 217 (2003)
S Mitra, S Sumitra, A M Umarji, R Mukhopadhyay, S Yashonath and S L Chaplot, Pramana — J. Phys. 63, 449 (2004)
Siddharth Gautam, S Mitra, R Mukhopadhyay and S L Chaplot, Phys. Rev. E74, 041202 (2006)
S Gautam, S Mitra, A Sayeed, S Yashonath, S L Chaplot and R Mukhopadhyay, Chem. Phys. Lett. 442, 311 (2007)
D A Dixon and A J Komornicki, J. Phys. Chem. 94, 5630 (1990)
J-M Zanotti, M-C Bellissent-Funel and S H Chen, Phys. Rev. E59, 3084 (1999)
V Rives and M A Ulibarri, Coord. Chem. Rev. 181, 61 (1999)
F Cavani, F Trifiro and A Vaccari, Catal. Today 11, 173 (1991)
G Marcelin, N J Stockhausen, J F M Post and A Schutz, J. Phys. Chem. 93, 4646 (1989)
W Kagunya, P K Dutta and Z Lei, Physica B234–236, 910 (1997)
W Kagunya, J. Phys. Chem. 100, 327 (1996)
A C Templeton, W P Wuelfing and R W Murray, Acc. Chem. Res. 33, 27 (2000)
T Pradeep, S Mitra, A Sreekumaran Nair and R Mukhopadhyay, J. Phys. Chem. B108, 7012 (2004)
R Mukhopadhyay, S Mitra, T Pradeep, I Tsukushi and S Ikeda, J. Chem. Phys. 118, 4614 (2003)
R Mukhopadhyay, S Mitra, M Johnson, V R Rajeev Kumar and T Pradeep, Phys. Rev. B75, 075414 (2007)
R Mukhopadhyay, S Mitra, M Johnson and T Pradeep, J. Phys.: Conf. Ser. 92, 012161 (2007)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Gautam, S., Mitra, S. & Mukhopadhyay, R. Molecular motion in restricted geometries. Pramana - J Phys 71, 809–818 (2008). https://doi.org/10.1007/s12043-008-0271-1
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12043-008-0271-1