scholarly journals Probing the C 60 triplet state coupling to nuclear spins inside and out

2013 ◽  
Vol 371 (1998) ◽  
pp. 20120475 ◽  
Author(s):  
Vasileia Filidou ◽  
Salvatore Mamone ◽  
Stephanie Simmons ◽  
Steven D. Karlen ◽  
Harry L. Anderson ◽  
...  
Keyword(s):  
Small Molecules ◽  
Density Functional ◽  
Double Resonance ◽  
Nuclear Spins ◽  
Electron Nuclear Double Resonance ◽  
Paramagnetic Resonance ◽  
Endohedral Fullerenes ◽  
New Class ◽  
Pulsed Electron Paramagnetic Resonance ◽  
Electron Paramagnetic

The photoexcitation of functionalized fullerenes to their paramagnetic triplet electronic state can be studied by pulsed electron paramagnetic resonance (EPR) spectroscopy, whereas the interactions of this state with the surrounding nuclear spins can be observed by a related technique: electron nuclear double resonance (ENDOR). In this study, we present EPR and ENDOR studies on a functionalized exohedral fullerene system, dimethyl[9-hydro (C60-Ih)[5,6]fulleren-1(9 H )-yl]phosphonate (DMHFP), where the triplet electron spin has been used to hyperpolarize, couple and measure two nuclear spins. We go on to discuss the extension of these methods to study a new class of endohedral fullerenes filled with small molecules, such as H 2 @C 60 , and we relate the results to density functional calculations.

The Microscopic Structure Of Shallow Donors In Silicon Carbide

1996 ◽  
Vol 442 ◽  
Author(s):  
J.-M. Spaeth ◽  
S. Greulich-Weber ◽  
M. März ◽  
E. N. Kalabukhova ◽  
S. N. Lukin
Keyword(s):  
High Temperature ◽  
Low Temperature ◽  
Temperature Dependence ◽  
Double Resonance ◽  
Epr Spectra ◽  
Electron Nuclear Double Resonance ◽  
Paramagnetic Resonance ◽  
Vacancy Pair ◽  
Temperature Spectra ◽  
Electron Paramagnetic

AbstractThe electronic structure of nitrogen donors in 6H-, 4H- and 3C-SiC is investigated by measuring the nitrogen hyperfine (hf) interactions with electron nuclear double resonance (ENDOR) and the temperature dependence of the hf split electron paramagnetic resonance (EPR) spectra. Superhyperfine (shf) interactions with many shells of 13C and 29Si were measured in 6H-SiC. The hf and shf interactions are discussed in the framework of effective mass theory. The temperature dependence is explained with the thermal occupation of the lowest valley-orbit split A1 and E states. It is proposed that the EPR spectra of P donors observed previously in neutron transmuted 6H-SiC at low temperature (<10K) and high temperature (>60K) are all due to substitutional P donors on the two quasi-cubic and hexagonal Si sites, whereby at low temperature the E state is occupied and at high temperature the A1 state. The low temperature spectra are thus thought not to be due to P-vacancy pair defects as proposed previously.

The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT

2015 ◽  
Vol 17 (31) ◽  
pp. 20331-20337 ◽  
Author(s):  
Marat Gafurov ◽  
Timur Biktagirov ◽  
Georgy Mamin ◽  
Elena Klimashina ◽  
Valery Putlayev ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Hydroxyapatite Nanoparticles ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Pulsed Epr ◽  
Pulsed Electron Paramagnetic Resonance ◽  
Electron Paramagnetic ◽  
Oppositely Charged

The interplay of oppositely charged substitutions in the structure of hydroxyapatite nanopowders is investigated by pulsed electron paramagnetic resonance and ab initio density functional theory calculations.

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