Structural Transformations in Crystalline Oligomers of Polyparaphenylene

1988 ◽  
Vol 134 ◽  
Author(s):  
Kenneth N. Baker ◽  
Howard C. Knachel ◽  
Albert V. Fratini ◽  
W. Wade Adams

ABSTRACTWe report the room and low temperature crystal structures of the unsubstituted pquinquephenyl (PQP) and p-sexiphenyl (PSP), and substituted 22,45 -diphenyl-pquinquephenyl (DPQP), 22,65-diphenyl-p-septiphenyl (DPSP), and 1,2,4-triphenylbenzene (TPB) polyparaphenylene oligomers. The unsubstituted oligomers exhibit a solid state transition when cooled from room temperature to 110K, as indicated by a change in crystallographic space group. No transition is observed for the substituted oligomers other than the usual thermal contraction of the unit cell. The transition observed for the unsubstituted oligomers is interpreted in terms of a conformational change from an “averaged” planar structure to a static non-planar one. Comparisons of room temperature and low temperature crystal data are presented.

1980 ◽  
Vol 13 (1) ◽  
pp. 137-145 ◽  
Author(s):  
Kohji Tashiro ◽  
Yuzo Nakai ◽  
Masamichi Kobayashi ◽  
Hiroyuki Tadokoro

2005 ◽  
Vol 10 (2) ◽  
pp. 309-318 ◽  
Author(s):  
Luk Chiu Li ◽  
Lihua Zhu ◽  
Jing-Feng Song ◽  
Jone-Shin Deng ◽  
Rubi Bandopadhyay ◽  
...  

2004 ◽  
Vol 59 (6) ◽  
pp. 635-638 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Udo Losehand

The compounds (H3C)2S, (H3Si)2S and (H3Ge)2S have been crystallised in situ on a diffractometer and their crystal structures determined by low-temperature X-ray diffraction. The molecules are present as monomers in the crystals. The aggregation of the molecules through secondary intermolecular contacts in the crystal is different: (H3C)2S is weakly associated into dimers by S···S contacts, whereas (H3Si)2S and (H3Ge)2S form Si···S and Ge···S contacts in an ice-analogous aggregation motif. Important geometry parameters are (H3C)2S: C-S 1.794(av) Å , C-S-C 99.2(1)°; (H3Si)2S: Si- S 2.143(1) Å , Si-S-Si 98.4°; (H3Ge)2S Ge-S 2.223(2) and 2.230(2) Å , Ge-S-Ge 98.2(1)◦.


1994 ◽  
Vol 9 (3) ◽  
pp. 194-199
Author(s):  
Hoong-Kun Fun ◽  
Ping Yang ◽  
Rusli Othman ◽  
Tsong-Jen Lee ◽  
Chiou-Chu Lai ◽  
...  

The crystalline structure of new TlSr2PrCu207−x was obtained at room temperature (300 K) and low temperature (100 K) from X-ray powder diffraction with CuKα radiation using Rietveld analysis. TlSr2PrCu207−x has an isotypical structure with TlBa2CaCu207 (1212). At 300 K, crystal data: Tl0.864Sr2PrCu2O6.75, Mr=727.811, the tetragonal system, P4/mmm, a =3.85404(5) Å, c = 12.1046(2) Å, V=179.80 Å3, Z=1, Dx =6.7218 g cm−3, μ =1143.922 cm−1 (λ = 1.54051 Å), F(000)=317.0, the structure was refined with 28 parameters to Rwp=5.29%, Rp = 3.65% for 3551 step intensities and Rb=7.40%, Rf=639% for 155 peaks, “goodness of fit” 5=3.05. At 100 K, crystal data: Tl0.858Sr2PrCu2O6.61, Mr=724.345, the tetragonal system, P4/mmm, a =3.84872(6) Å, c = 12.0771(3) Å, V=178.89 Å3, Z=1, Dx=6.7235 g cm−3, μ=1146.939 cm−1 (λ= 1.54051 Å), F(000) = 315.4, the structure was refined with 26 parameters to Rwp=6.70%, Rp=5.11% for 2926 step intensities and Rb=7.83%, Rf=6.70% for 131 peaks, “goodness of fit” S = 1.75.


Sign in / Sign up

Export Citation Format

Share Document