Orientational Ordering and Low-Temperature Libration in the Rotor−Stator Cocrystals of Fullerenes and Cubane

2009 ◽  
Vol 113 (7) ◽  
pp. 2042-2049 ◽  
Author(s):  
Norbert M. Nemes ◽  
Mar García-Hernández ◽  
Gábor Bortel ◽  
Éva Kováts ◽  
Bence J. Nagy ◽  
...  
Keyword(s):  
Low Temperature ◽  
Orientational Ordering

scholarly journals Low-temperature orientational ordering and possible domain structures in C60 fullerite

2001 ◽  
Vol 27 (5) ◽  
pp. 397-403 ◽  
Author(s):  
V. M. Loktev ◽  
Y. G. Pogorelov ◽  
J. N. Khalack
Keyword(s):  
Low Temperature ◽  
Domain Structures ◽  
Orientational Ordering

Orientational ordering and the low temperature structure of SF6

1987 ◽  
Vol 62 (5) ◽  
pp. 1127-1141 ◽  
Author(s):  
B.M. Powell ◽  
M.T. Dove ◽  
G.S. Pawley ◽  
L.S. Bartell
Keyword(s):  
Low Temperature ◽  
Temperature Structure ◽  
Orientational Ordering

Quantum-Mechanical Theory of Orientational Ordering in Solid Methanes

1972 ◽  
Vol 50 (13) ◽  
pp. 1568-1578 ◽  
Author(s):  
S. Alexander ◽  
M. Lerner-Naor
Keyword(s):  
Low Temperature ◽  
Field Approximation ◽  
Quantum Mechanical ◽  
Temperature Phase ◽  
Mechanical Theory ◽  
Crystal Fields ◽  
Quantum Mechanical Theory ◽  
Full Symmetry ◽  
Orientational Ordering ◽  
Low Temperature Phase

The quantum-mechanical theory of the low temperature phase transitions of the solid methanes is discussed. It is shown how the standard techniques for treating the molecular field approximation can be applied to these problems. It is shown how internal and external symmetries should be combined so as to utilize the full symmetry of the problem. This analysis is quite general and applicable to all problems of orientational ordering. Results of detailed calculations for the James–Keenan model of CH4 and CD4 are presented and compared with experimental results. The calculations assume octupole interactions, include no crystal fields, and include all states up to J = 6. It is suggested that the inclusion of crystal field and possibly states of higher J is essential for describing the low temperature behavior.

Pulse expansion deposits and orientational ordering for low temperature matricesa)

1985 ◽  
Vol 82 (2) ◽  
pp. 1055-1056 ◽  
Author(s):  
L. H. Jones ◽  
S. A. Ekberg ◽  
B. I. Swanson
Keyword(s):  
Low Temperature ◽  
Orientational Ordering

Intermolecular interactions and the nature of orientational ordering in the solid fullerenes C 60 and C 70

1992 ◽  
Vol 341 (1661) ◽  
pp. 327-336 ◽  
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Low Pressure ◽  
Intermolecular Potential ◽  
Temperature Phase ◽  
Temperature Structure ◽  
Rotator Phase ◽  
Wide Range ◽  
Orientational Ordering ◽  
Ordering Transition

We have proposed an intermolecular potential for C 60 molecules that not only reproduces the correct low-temperature structure, but also correlates a wide range of experimental properties, including the molecular reorientational time in the room-temperature rotator phase, the volume change at the orientational ordering transition, and the librational frequencies in the low-temperature phase. The low- pressure phases in solid C 70 have been explored using constant-pressure molecular dynamics and an intermolecular potential derived from one that gives an excellent account of the properties of solid C 60 . The molecular dynamics calculations predict three low-pressure phases: a high-temperature rotator phase, a partly ordered phase with trigonal symmetry, and an ordered monoclinic phase. The calculations on C 70 were carried out on a cluster of IBM RS/6000s, operating in parallel.

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