Bis(2,6-dimethoxyphenyl)tellurium dihalides (Cl, Br or I) and dithiocyanate: crystal structure and temperature-dependent NMR spectra

2000 ◽  
pp. 3493-3499 ◽  
Author(s):  
Masahiro Asahara ◽  
Masahito Tanaka ◽  
Tatsuo Erabi ◽  
Masanori Wada
Keyword(s):  
Crystal Structure ◽  
Nmr Spectra ◽  
Temperature Dependent

Substituted 1,2-diaza-7-oxaspiro[4,4]nonen-6-ones; Preparation, NMR spectra, and crystal structure

1991 ◽  
Vol 56 (5) ◽  
pp. 973-983 ◽  
Author(s):  
Jaroslav Jonas ◽  
Tadeusz Głowiak ◽  
Zdirad Žák ◽  
Petr Trška ◽  
Ctibor Mazal
Keyword(s):  
Crystal Structure ◽  
Nmr Spectra

Diazomethane adds to substituted 3-methylene-2-(3H)-dihydrofuranones (Ia-Ii) to give the corresponding title dihydropyrazolospirodihydrofuranones (IIa-IIf, IIi,andIIj) or (IIIa, IIIg, and IIIh). NMR spectra of the adducts are discussed in some detail and the crystal structure has been solved for (4R, 5S)-5-benzoyloxy-1,2-diaza-7-oxaspiro[4.4]non-1-en-6-one (IIa).

Rotationsbarriere der Endgruppen bei Poly- methinoxonolen verschiedener Kettenlänge / Rotation Barrier of the End Groups of Polymethine Oxonols with Different Chain Lengths

1976 ◽  
Vol 31 (8) ◽  
pp. 1017-1018 ◽  
Author(s):  
H. Oehling ◽  
F. Baer
Keyword(s):  
Nmr Spectra ◽  
Rotation Barrier ◽  
Free Enthalpy ◽  
Temperature Dependent ◽  
Restricted Rotation ◽  
H Nmr ◽  
Enthalpy Of Activation ◽  
End Groups ◽  
Electron Contribution ◽  
Chain Lengths

Abstract Polymethine oxonols show temperature dependent 1H-NMR-spectra because of restricted rotation of the end groups. The dependence of the value of the corresponding free enthalpy of activation AGt on the length of the poly-methine chain can be explained by the change of the π-electron contribution to ⊿G≠.

scholarly journals Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 185
Author(s):  
Nina Arnosti ◽  
Marco Meyer ◽  
Alessandro Prescimone ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Nmr Spectra ◽  
Phenyl Ether ◽  
Quantum Yields ◽  
Dynamic Processes ◽  
Electrochemical Behaviors ◽  
Ambient Temperatures ◽  
Π Stacking

The preparation and characterization of [Cu(POP)(biq)][PF6] and [Cu(xantphos)(biq)][PF6] are reported (biq = 1,1′-biisoquinoline, POP = bis(2-(diphenylphosphanyl)phenyl)ether, and xantphos = (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane). The single crystal structure of [Cu(POP)(biq)][PF6] 0.5Et2O was determined and compared to that in three salts of [Cu(POP)(bq)]+ in which bq = 2,2′-biquinoline. The P–C–P angle is 114.456(19)o in [Cu(POP)(biq)]+ compared to a range of 118.29(3)–119.60(3)o [Cu(POP)(bq)]+. There is a change from an intra-POP PPh2-phenyl/(C6H4)2O-arene π-stacking in [Cu(POP)(biq)]+ to a π-stacking contact between the POP and bq ligands in [Cu(POP)(bq)]+. In solution and at ambient temperatures, the [Cu(POP)(biq)][PF6]+ and [Cu(xantphos)(biq)]+ cations undergo several concurrent dynamic processes, as evidenced in their multinuclear NMR spectra. The photophysical and electrochemical behaviors of the heteroleptic copper (I) complexes were investigated, and the effects of changing from bq to biq are described. Short Cu···O distances within the [Cu(POP)(biq)]+ and [Cu(xantphos)(biq)]+ cations may contribute to their very low photoluminescent quantum yields.

Crystal structure and temperature-dependent properties of Na2H4Ga2GeO8 – a novel gallogermanate

2020 ◽  
Vol 75 (9-10) ◽  
pp. 805-813
Author(s):  
Irma Peschke ◽  
Lars Robben ◽  
Christof Köhler ◽  
Thomas Frauenheim ◽  
Josef-Christian Buhl ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Decomposition Temperature ◽  
Spectroscopic Techniques ◽  
Charge Balance ◽  
Temperature Dependent ◽  
Raman Spectroscopic ◽  
Debye Temperatures ◽  
Diffraction Lattice ◽  
Temperature Dependent Properties ◽  
Balance Structure

AbstractSynthesis, crystal structure and temperature-dependent behavior of Na2H4Ga2GeO8 are reported. This novel gallogermanate crystallizes in space group I41/acd with room-temperature powder diffraction lattice parameters of a = 1298.05(1) pm and c = 870.66(1) pm. The structure consists of MO4 (M = Ga, Ge) tetrahedra in four-ring chains, which are connected by two different (left- and right-handed) helical chains of NaO6 octahedra. Protons coordinating the oxygen atoms of the GaO4 tetrahedra not linked to germanium atoms ensure the charge balance. Structure solution and refinement are based on single crystal X-ray diffraction measurements. Proton positions are estimated using a combined approach of DFT calculations and NMR, FTIR and Raman spectroscopic techniques. The thermal expansion was examined in the range between T = 20(2) K and the compound’s decomposition temperature at 568(5) K, in which no phase transition could be observed, and Debye temperatures of 266(11) and 1566(65) K were determined for the volume expansion.

scholarly journals Crystal Structure Dependence of Antiferromagnetic Coupling in FE/SI Multilayers

1995 ◽  
Vol 384 ◽  
Author(s):  
R. P. Michel ◽  
A. Chaiken ◽  
M. A. Wall
Keyword(s):  
Crystal Structure ◽  
Magnetic Coupling ◽  
Antiferromagnetic Coupling ◽  
Temperature Dependent ◽  
Layered Systems ◽  
Metal Insulator ◽  
Structure Dependence ◽  
Metallic Conductor ◽  
Metal Metal ◽  
Cscl Structure

ABSTRACTRecent reports of temperature dependent antiferromagnetic coupling in Fe/Si multilayers have motivated the generalization of models describing magnetic coupling in metal/metal multilayers to metal/insulator and metal/semiconductor layered systems. Interesting dependence of the magnetic properties on layer thickness and temperature are predicted. We report measurements that show the antiferromagnetic (AF) coupling observed in Fe/Si multilayers is strongly dependent on the crystalline coherence of the silicide interlayer. Electron diffraction images show the silicide interlayer has a CsCl structure. It is not clear at this time whether the interlayer is a poor metallic conductor or a semiconductor so the relevance of generalized coupling theories is unclear.

scholarly journals Temperature Dependence of Electrical Properties and Crystal Structure of 0.29Pb(In1/2Nb1/2)O3–0.44Pb(Mg1/3Nb2/3)O3–0.27PbTiO3Single Crystals

2013 ◽  
Vol 2013 ◽  
pp. 1-5
Author(s):  
Qian Li ◽  
Yun Liu ◽  
Andrew Studer ◽  
Zhenrong Li ◽  
Ray Withers ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Electrical Properties ◽  
Dielectric Permittivity ◽  
Neutron Diffraction ◽  
Electrical Measurement ◽  
Temperature Dependent ◽  
Electromechanical Properties ◽  
Polar Order

We characterized the temperature dependent (~25–200°C) electromechanical properties and crystal structure of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3single crystals usingin situelectrical measurement and neutron diffraction techniques. The results show that the poled crystal experiences an addition phase transition around 120°C whereas such a transition is absent in the unpoled crystal. It is also found that the polar order persists above the maximum dielectric permittivity temperature at which the crystal shows a well-defined antiferroelectric behavior. The changes in the electrical properties and underlying crystal structure are discussed in the paper.

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