Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.

  title={Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.},
  author={Michael J. Colaneri and Simon J. Teat and Jacqueline Vitali},
  journal={The journal of physical chemistry. A},
Electron Paramagnetic Resonance and crystallographic studies on copper-doped cadmium creatininium sulfate (CdCrnS) were undertaken to study the characteristics of a copper-hexahydrate complex in an organic analog of Tutton's salt. X-ray diffraction experiments determined the crystal structure of CdCrnS at both 100 K and 298 K. CdCrnS, like Tutton salt, crystallizes in the monoclinic space group P21/n. The unit cell contains two cadmium hexahydrate complexes, four creatininium ions, four… 
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Effect of the Lattice Field on the Electronic Structure and Dynamics of Copper-Hexahydrate in Tutton Salts.
The correlation found here reinforces a recent view that the coupling of the copper complex to the surrounding crystal lattice is the major determinant of these dynamics, and the lattice potentials lack any significant temperature dependency and thus do not appear to be responsible for changes in the EPR patterns.
Key Role of Deep Orbitals in the dx2–y2–d3z2–r2 Gap in Tetragonal Complexes and 10Dq
Using first-principles calculations, we show that the origin of the intrinsic a1g(∼3z2 – r2)–b1g(∼x2 – y2) splitting, Δint, in tetragonal transition-metal complexes and the variations of the cubic
Framework coordination of single-ion Cu2+ sites in hydrated 17O-ZSM-5 zeolite
The interfacial coordination chemistry of water solvated single Cu2+ sites in ZSM-5 is assessed through pulsed EPR spectroscopy and selective 17O isotopic labelling.


Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis.
Findings are consistent with three interpretations that can adequately explain previous temperature-dependent EPR powder spectra of this system: a local structural distortion at the copper site has a temperature dependence significant enough to affect the EPR pattern, the copper can hop between the two sites in each complex at high temperature, and there exists a dynamic Jahn-Teller effect involving the copper ligands.
Electron paramagnetic resonance spectroscopic study of copper hopping in doped bis(L-histidinato)cadmium dihydrate.
Electron paramagnetic resonance (EPR) spectroscopy was used to study Cu(II) dynamic behavior in a doped biological model crystal, bis(L-histidinato)cadmium dihydrate, in order to gain better insight
Copper dynamics in doped metal-bis(histidine) complexes.
Results suggest that averaging motion between neighboring copper sites is common in metal-bis(histidine) compounds and more detailed studies on biological models are warranted, especially because they reveal unique relationships between structure, dynamic processes, and stability.
Cooperative Jahn-Teller Interactions in dynamic copper(II) complexes. Temperature dependence of the crystal structure and EPR spectrum of deuterated ammonium copper(II) sulfate hexahydrate
The crystal structure of the deuterated Tutton salt (ND4)2[Cu(D2O)6](SO4)2 determined by X-ray diffraction at several temperatures between 100 and 321 K is reported. The intermediate and longest Cu−O
The Lattice Structure Parameters and Configuration of Cu2+ Jahn-Teller Centres in Tutton Salt Crystals
EPR of Cu(H2O) pseudo Jahn-Teller (JT) centres in dia- and paramagnetic Tutton salt crystals A2M(SO4)2. 6H2O (I) with A = Rb, Cs, NH4 and M=Zn, Cu and K2M(ZrF6)2. 6H2O (II) crystals in the
Comparative EPR Studies of Dynamics and Exchange Coupling in Ammonium and Potassium Copper (II) Tutton Salts
Single crystal EPR studies on (NH 4 ) 2 Cu(SO 4 ) 2 .6H 2 O and K 2 Cu(SO 4 ) 2 .6H 2 O in the temperature range 4.2 to 360 K show that the vibronic g-factor averaging is completed in the ammonium
Probing Axial Water Bound to Copper in Tutton Salt Using Single Crystal 17O-ESEEM Spectroscopy.
Coupling interactions from distant H217O such as in the present case have important implications in studies of copper enzymes and proteins where substrates have been proposed to displace weakly bound water in the active site.
Electron Paramagnetic Resonance Study of Cu2+ in K2Zn(ZrF6)2 · 6 H2O
An EPR study of Cu2+ ions in K2Zn(ZrF6) · 6 H2O in the temperature range 4.2 to 300 K at X and Q bands is carried out on single crystals and powders. The presence of the two conjugated Cu(H2O)62+
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ESR of Cu2+(H2O)6. II. A quantitative study of the dynamic Jahn‐Teller effect in copper‐doped zinc Tutton's salt
The X‐band ESR spectra of 63Cu2+ doped zinc Tutton's salt enriched to 16 at.% in 17O isotope was studied in a single crystal at 20, 77, and 290°K. The powder spectrum of the same material was studied