scholarly journals Phase transition effects: A crystallographic characterization of the temperature dependency of the crystal structure of the 1:1 charge transfer complex between anthracene and tetracyanobenzene in the temperature range 297 to 119 K

1980 ◽  
Vol 73 (1) ◽  
pp. 538-547 ◽  
Author(s):  
John J. Stezowski
Polyhedron ◽  
2006 ◽  
Vol 25 (7) ◽  
pp. 1514-1518 ◽  
Author(s):  
Stefan Dolder ◽  
Shi-Xia Liu ◽  
Eva Beurer ◽  
Lahcène Ouahab ◽  
Silvio Decurtins

2011 ◽  
Vol 67 (3) ◽  
pp. 244-249 ◽  
Author(s):  
Pilar García-Orduña ◽  
Slimane Dahaoui ◽  
Claude Lecomte

The crystal structure of the 2:1 charge-transfer complex of tetrathiafulvalene [2,2′-bis(1,3-dithiolylidene)] and bromanil (tetrabromo-1,4-benzoquinone) [(TTF)2-BA, (C6H4S4)2–C6Br4O2] has been determined by X-ray diffraction at room temperature, 100 and 25 K. No structural phase transition occurs in the temperature range studied. The crystal is made of TTF–BA–TTF sandwich trimers. A charge-transfer estimation between donor and acceptor (0.2 e) molecules is proposed in comparison to the molecular geometries of TTF–BA and TTF and BA isolated molecules. Displacement parameters of the molecules have been modeled with the TLS formalism.


2002 ◽  
Vol 58 (4) ◽  
pp. 728-733 ◽  
Author(s):  
Paul Langan ◽  
Sax A. Mason ◽  
Dean Myles ◽  
Benno P. Schoenborn

The crystal structure of α-glycine has been investigated in the temperature range 288–427 K using neutron diffraction. The molecular structure does not change significantly and the putative crystallographic phase transition associated with anomalous electrical behaviour in this temperature range is not observed. The unit cell expands anisotropically with increasing temperature, with the unique monoclinic b axis, corresponding to the stacking direction of molecular layers, changing the most. The increasing separation of antiferroelectric molecular layers with increasing temperature is driven by an increase in molecular libration about an axis that lies perpendicular to the b axis. There is also a weakening of the interlayer hydrogen bonds with temperature. These structural and dynamic changes will affect the response of molecular dipoles to an applied electric field and provide a possible mechanism for the anomalous electrical behaviour.


2021 ◽  
Author(s):  
Hosea M. Nelson ◽  
Juno C. Siu ◽  
Ambarneil Saha ◽  
Duilio Cascio ◽  
Samantha N. MacMillan ◽  
...  

1998 ◽  
Vol 327-329 ◽  
pp. 391-394
Author(s):  
Keiichi Ikegami ◽  
Shin-ichi Kuroda ◽  
Tomoyuki Akutagawa ◽  
Taro Konuma ◽  
Takayoshi Nakamura ◽  
...  

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