| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Williams, A.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2023The Southern-sky MWA Rapid Two-metre (SMART) pulsar survey—I. Survey design and processing pipelinecitations
- 2023"It’s positive- now what?”
- 2023The Southern-sky MWA Rapid Two-metre (SMART) pulsar survey—II. Survey status, pulsar census, and first pulsar discoveriescitations
- 2020The potential use of torrefied Nigerian biomass for combustion applications
- 2019Emissions performance of high moisture wood fuels burned in a residential stove
- 2019Fuel flexible power stations: Utilisation of ash co-products as additives for NOx emissions control
- 2017Recommendations for a new generation of standards for testing numerical assessment of blast-loaded glass windowscitations
- 2017Gas phase potassium release from a single particle of biomass during high temperature combustioncitations
- 2016Observations on the release of gas-phase potassium during the combustion of single particles of biomasscitations
- 2016An assessment of the torrefaction of North American pine and life cycle greenhouse gas emissionscitations
- 2014Characterization of selected Nigerian biomass for combustion and pyrolysis applicationscitations
- 2014Developing a Viable Process Window for Novel Alloys Based on the Mg-Zn-Nd-Y System
- 2010An investigation of the grindability of two torrefied energy cropscitations
- 2005Cooling of bulk material by electron-tunneling refrigeratorscitations
- 2000Matrix-Isolation ESR Studies of the Various Isotopomers of the CH3Zn and ZnH Radicals: Comparisons with ab initio theoretical Calculationscitations
Places of action
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article
Matrix-Isolation ESR Studies of the Various Isotopomers of the CH3Zn and ZnH Radicals: Comparisons with ab initio theoretical Calculations
Abstract
The (CH3Zn)-C-12, (CH3Zn)-C-12-Zn-67, (CH3Zn)-C-13, (CH3Zn)-C-13-Zn-67, (CD3Zn)-C-13-Zn-67, and (CD3Zn)-C-13 radicals have been isolated in an inert neon matrix at 4.3 K. Their electronic structure has been probed for the first time using matrix-isolation electron spin resonance spectroscopy (MI-ESR). These radicals were generated by the reaction of laserablated zinc metal with the appropriate methyl precursor. The magnetic parameters (MHz) were determined to be g(perpendicular to) = 1.9835(4), A(perpendicular to)(H) = 14(1), A(perpendicular to)(D) = 2.2(4), A(perpendicular to)(C-13) = 166(3), and A(perpendicular to)(Zn-67) = 547(1). Estimates were derived for A(parallel to)(C-13) = 211(50) and A(parallel to)(Zn-67) = 608(5). The (ZnH)-Zn-67 radical was also generated by the reaction of laser-ablated zinc metal and hydrogen gas and studied fur the first time by MI-ESR after isolation in solid neon matrixes at 4 K. The values of the 67ZnH magnetic parameters (MHz) were determined to be g(perpendicular to) = 1.9841(3), g(parallel to) = 1.9990(5), A(perpendicular to)(H) = 505(1), A(parallel to)(H) = 503(1), A(perpendicular to)(Zn-67) = 615(1), and A(parallel to)(Zn-67) = 660(1). Earlier argon MI-ESR studies produced ZnH by conventional high-temperature methods and determined only the hydrogen hyperfine interaction and the molecular a tensor. Hartree-Fock single- and double-excitation configuration interaction (HFSDCI) and multireference single- and double-excitation configuration interaction (MRSDCI) ab initio calculations of the magnetic hyperfine interactions in the CH3Zn and ZnH radicals were performed. The A(iso)(Zn-67) and the A(dip)(Zn-67) values calculated for both radicals were within 1% of the experimental observations. However, the calculated A(iso)(C-13) values for the CH3Zn radical were low by about 50%, and the calculated A(iso)(H) value for ZnH was low by 60%. Density functional theory (DFT) yielded A(iso) values for H and C-13 in much closer agreement with experiment. A comparison is presented between the ESR results for the CH3Zn and ZnH radicals and their cadmium analogues, which have been investigated previously by MI-ESR.