Temperature dependence of the crystal structure and luminescence properties of [Pt{4′-(o-ClC6H4)trpy}Cl]SbF6 (trpy = 2,2′:6′,2″-terpyridine)Electronic supplementary information (ESI) available: Fig. S1: Unit cell contents of [Pt{4′-(o-ClC6H4)trpy}Cl]SbF6 viewed down the [a]-axis and Fig. S2: View of the cation stack in [Pt{4′-(o-ClC6H4)trpy}Cl]SbF6. See http://www.rsc.org/suppdata/dt/b2/b209754k/

2003 ◽  
pp. 1176-1180 ◽  
Author(s):  
John S. Field ◽  
Jan-Andre Gertenbach ◽  
Raymond J. Haines ◽  
Lesibana P. Ledwaba ◽  
Ndoda T. Mashapa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Temperature Dependence ◽  
Unit Cell ◽  
Supplementary Information ◽  
Luminescence Properties ◽  
Electronic Supplementary Information

NQR and Crystal Structure of 4,5-Dichloroimidazole, C3H2N2Cl2

1992 ◽  
Vol 47 (1-2) ◽  
pp. 177-181 ◽  
Author(s):  
Shi-Qi Dou ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Dependence ◽  
Room Temperature ◽  
Unit Cell ◽  
Space Group ◽  
Temperature Range ◽  
Temperature Coefficients ◽  
Group D

AbstractThe two line 35Cl NQR spectrum of 4,5-dichloroimidazole was measured in the temperature range 77≦ T/K ≦ 389. The temperature dependence of the NQR frequencies conforms with the Bayer model and no phase transition is indicated in the curves v ( 35Cl)= f(T). Also the temperature coefficients of the 35Cl NQR frequencies are "normal". At 77 K the 35Cl NQR frequencies are 37.409 MHz and 36.172 MHz and at 389 K 35.758 MHz and 34.565 MHz. The compound crystallizes at room temperature with the tetragonal space group D44-P41212, Z = 8 molecules per unit cell; at 295 K : a = 684.2(5) pm, c = 2414.0(20) pm. The relations between the crystal structure and the NQR spectrum are discussed.

NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)

2018 ◽  
Vol 73 (9) ◽  
pp. 611-616
Author(s):  
Hideta Ishihara ◽  
Hisashi Honda ◽  
Ingrid Svoboda ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Dependence ◽  
Benzene Ring ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Unit Cell ◽  
Organic Layers ◽  
Nuclear Magnetic Resonance Spectra ◽  
Quadrupole Resonance

AbstractThe crystal structure of [4-C2H5-C6H4NH3]2ZnBr4 (1) has been determined at 150(2) K: triclinic, P1̅, a=724.82(2), b=1194.20(4), c=1322.26(4) pm, α=74.151(3), β=80.887(3), γ=80.434(3)°, and Z=2. There are two crystallographically independent cations in the unit cell of 1: one has its benzene ring perpendicular to the crystallographic a axis of the unit cell and the other one has its benzene ring perpendicular to the c axis. These cations are alternatingly located along the c axis and form organic layers, and the ZnBr4 anions form inorganic layers in between. Zn–Br···H–N hydrogen bonds are formed between cations and anions. In accordance with the crystal structure, four nuclear quadrupole resonance (NQR) lines of 81Br were observed. The temperature dependence of the 81Br NQR frequencies between 77 and 320 K shows a peculiar feature which is not due to a structural phase transition. The measurement of 13C nuclear magnetic resonance spectra at around T=340 K indicates a redistribution of cations. The temperature dependence of 81Br NQR frequencies and differential thermal analysis measurements show that [4-C2H5-C6H4NH3]2CdBr4 (2) undergoes a structural phase transition at around 190 K.

35Cl and 37Cl Pure Quadrupole Resonance in α-CH2ClCOOH: Hydrogen Bonding and Chlorine Isotope Effect

1978 ◽  
Vol 33 (1) ◽  
pp. 74-77 ◽  
Author(s):  
Helmut Rager
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Temperature Dependence ◽  
Bond Length ◽  
Nuclear Quadrupole Resonance ◽  
Isotope Effect ◽  
Unit Cell ◽  
Chlorine Atoms ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole

The temperature dependence of the pure nuclear quadrupole resonance of 35Cl and 37Cl in solid α-CH2ClCOOH has been measured from 77 K to 298 K. The NQR spectrum consists of a doublet arising from the two nonequivalent chlorine atoms in the unit cell. The temperature dependence was calculated using the Bayer-Kushida theory which gives a satisfactory fit to the NQR spectra in the temperature range investigated. From the NQR data evidence of an isotope effect was found for both nonequivalent chlorine atoms. The isotope effect depends on the C-Cl bond length and its direction probably on the state of binding of the chlorine atoms. The NQR results and their interpretation are consistent with the crystal structure of α- CH2ClCOOH.

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