Chiral types and structure classes of heteromolecular crystals

1979 ◽  
Vol 20 (3) ◽  
pp. 384-390 ◽  
Author(s):  
N. Yu. Chernikova ◽  
P. M. Zorkii
Keyword(s):  
Heteromolecular Crystals

Cocrystallization of Organometallic Clusters: Homo- and Heteromolecular Crystals of Ru6C(CO)14(.eta.6-C6H4Me2) and Ru6C(CO)11(.eta.6-C6H4Me2)2

1994 ◽  
Vol 13 (6) ◽  
pp. 2170-2177 ◽  
Author(s):  
Dario Braga ◽  
Fabrizia Grepioni ◽  
Caroline M. Martin ◽  
Emilio Parisini ◽  
Paul J. Dyson ◽  
...  
Keyword(s):  
Organometallic Clusters ◽  
Heteromolecular Crystals

Mechanisms of the rotational dynamics of C70 in C70-cubane heteromolecular crystals

2011 ◽  
Vol 135 (24) ◽  
pp. 244510 ◽  
Author(s):  
Tatiana M. C. Faro ◽  
Munir S. Skaf ◽  
Vitor R. Coluci
Keyword(s):  
Rotational Dynamics ◽  
Heteromolecular Crystals

Intermolecular interactions in heteromolecular crystals of tetrazine derivatives with azoles

2011 ◽  
Vol 52 (6) ◽  
pp. 1134-1138 ◽  
Author(s):  
E. S. Salmina ◽  
G. L. Rusinov ◽  
P. A. Slepukhin ◽  
R. I. Ishmetova ◽  
S. G. Tolshchina ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Heteromolecular Crystals

A Molecular Dynamics Study of the Rotational Dynamics and Polymerization of C60 in C60-Cubane Crystals

2008 ◽  
Vol 1130 ◽  
Author(s):  
Vitor Coluci ◽  
Fernando Sato ◽  
Scheila F. Braga ◽  
Munir S. Skaf ◽  
Douglas S Galvao
Keyword(s):  
Molecular Dynamics ◽  
Tight Binding ◽  
Disordered Structure ◽  
Diffusive Dynamics ◽  
Rotational Motions ◽  
Dynamics Simulations ◽  
Thermal Vibrations ◽  
Heteromolecular Crystals ◽  
Short Times ◽  
C60 Fullerenes

AbstractRecently, heteromolecular crystals of fullerene C60 and cubane (C8H8) have been synthesized. For some temperatures the C60 molecules are free to rotate whereas cubanes behave like a static bearing in a so-called rotor-stator phases. In this work we report classical and tight-binding molecular dynamics simulations in order to investigate the rotor-stator dynamics and polymerization processes. Our results show that, for 200 K and 400 K, cubane molecules remain basically fixed, presenting only thermal vibrations within the timescale of our simulations, while C60 fullerenes show rotational motions. Fullerenes perform “free” rotational motions at short times (< 1 ps), small amplitude hindered rotational motions (librations) at intermediate times, and rotational diffusive dynamics at long times (> 10 ps). Random copolymerization among cubanes and fullerenes were observed when temperature is increased, leading to the formation of a disordered structure.

Rotor–stator phases of fullerenes with cubane derivatives: A novel family of heteromolecular crystals

2006 ◽  
Vol 243 (13) ◽  
pp. 3032-3036 ◽  
Author(s):  
S. Pekker ◽  
É. Kováts ◽  
G. Oszlányi ◽  
Gy. Bényei ◽  
G. Klupp ◽  
...  
Keyword(s):  
Heteromolecular Crystals
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