NMR studies of H2 single crystals. VI. Line shapes in the orientationally ordered phase

1983 ◽  
Vol 50 (1-2) ◽  
pp. 151-182 ◽  
Author(s):  
A. B. Harris ◽  
S. Washburn ◽  
H. Meyer

1981 ◽  
Vol 45 (1-2) ◽  
pp. 167-188 ◽  
Author(s):  
S. Washburn ◽  
R. Schweizer ◽  
H. Meyer




2015 ◽  
Vol 71 (6) ◽  
pp. 491-498 ◽  
Author(s):  
Mikhail E. Minyaev ◽  
Dmitrii M. Roitershtein ◽  
Ilya E. Nifant'ev ◽  
Ivan V. Ananyev ◽  
Tatyana V. Minyaeva ◽  
...  

(1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol or (4-hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by-product in the NaOH-catalyzed synthesis of 1,3,5-triphenylpentane-1,5-dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P-1) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)-enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhanget al.(2007).Acta Cryst.E63, o4652]. (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexan-1-ol or [4-hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by-product, under the same conditions, from acetophenone and 2-methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca21) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O—H...O hydrogen bond.



1969 ◽  
Vol 24 (3) ◽  
pp. 332-336 ◽  
Author(s):  
M Mehring ◽  
O Kanert

Abstract The spin echo line shapes of Rb87 and Br79.81 have been measured in undeformed and plasti­cally deformed RbBr single crystals. Analysis of the line shape of the measured echoes shows that the quadrupolar part of the echoes is given by point defects in the case of undeformed crystals, whereas in deformed crystals this term is determined by dislocations. A quantitative evaluation of the width of the quadrupolar shape yields the mean dislocation density in the samples as a function of the shear stress acting during the deformation. It was found that the square root of the dislocation density is proportional to the shear stress.





1979 ◽  
Vol 37 (3-4) ◽  
pp. 309-341 ◽  
Author(s):  
R. Schweizer ◽  
S. Washburn ◽  
H. Meyer ◽  
A. B. Harris
Keyword(s):  


1999 ◽  
Vol 77 (11) ◽  
pp. 1911-1921 ◽  
Author(s):  
G W Buchanan ◽  
M Gerzain ◽  
C I Ratcliffe

2H NMR line shapes have been obtained as a function of temperature for partially deuteriated 15-crown-5·NaI, 15-crown-5·NaClO4 and 21-crown-7·KI. Sudden changes in the line shapes above 330 K correspond to phase transitions: DSC shows transitions at 338, 347 K for 15-crown-5·NaI, and 356, 374, 383 K for 15-crown-5·NaClO4. The 2H NMR line shapes for the room temperature (RT) phases show the onset of a motion of the macrocycles above 200K, which is rapid a little above room temperature. Through detailed analysis of the complicated line shapes it has been shown that the most consistent interpretation of the dynamics in these RT phases is a "merry-go-round" type of motion similar to that found for 18-crown-6 and 12-crown-4 complexes in which O-CH2-CH2 units exchange sites around the ring, simultaneously adjusting their conformation to fit the site. In the high-temperature phases of all three complexes all the ring atoms are dynamically equivalent. This can only happen through a combination of increased symmetry and disorder for which possible models have been devised.Key words: 2H NMR, crown ether complexes, dynamics, disorder.



2017 ◽  
Vol 59 (5) ◽  
pp. 855-859 ◽  
Author(s):  
A. O. Antonenko ◽  
E. V. Charnaya ◽  
D. Yu. Nefedov ◽  
D. Yu. Podorozhkin ◽  
A. V. Uskov ◽  
...  


1991 ◽  
Vol 172-174 ◽  
pp. 603-610 ◽  
Author(s):  
H.C. Hoke ◽  
H.E. Schone ◽  
C.A. Sholl ◽  
S.P. Usher ◽  
R.G. Barnes ◽  
...  


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