Zero valent boron activated ozonation for ultra-fast degradation of organic pollutants: Atomic orbital matching, oxygen spillover and intra-electron transfer

2022 ◽  
pp. 134674
Author(s):  
Fengzhen Zhang ◽  
Qiaoping Kong ◽  
Huihuang Chen ◽  
Xu Zhao ◽  
Bo Yang ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Organic Pollutants ◽  
Atomic Orbital ◽  
Oxygen Spillover

5d and 4f electron configuration of CeB6 at 340 and 535 K

2008 ◽  
Vol 64 (5) ◽  
pp. 534-549 ◽  
Author(s):  
Ryoko Makita ◽  
Kiyoaki Tanaka ◽  
Yoshichika Ōnuki
Keyword(s):  
Electron Transfer ◽  
Crystal Field ◽  
Ground State ◽  
Room Temperature ◽  
Atomic Orbital ◽  
Energy Levels ◽  
Electron Configuration ◽  
Acta Cryst ◽  
X Ray ◽  
The Difference

X-ray atomic orbital (XAO) analysis revealed that at both temperatures the electrons are transferred from B 2px (= py ) to Ce 5d and 4f orbitals. At 340 K 5d(j = 5/2)Γ8 orbitals are occupied partially, but 4f(j = 5/2)Γ8 orbitals are more populated than 4f(j = 5/2)Γ7 orbitals, in contrast to our observation at 430 K [Makita et al. (2007). Acta Cryst. B63, 683–692]. At 535 K the XAO analysis revealed clearly that the order of the energy levels of 4f(j = 5/2)Γ8 and Γ7 states reversed again and is the same as that at room temperature. It also limited the possible 5d configurations to three models among the nine possible ones. However, the XAO analysis could not decide which of the three models was the best with the present accuracy of the measurement. Two of them have partially and fully occupied 5d(j = 5/2)Γ7 orbitals and the remaining one has a fully occupied 5d(j = 3/2)Γ8 orbital. Since the lobes of 5d(j = 3/2)Γ8 or 5d(j = 5/2)Γ7 orbitals do not overlap with the 4f(j = 5/2)Γ8 orbitals as well as the 5d(j = 5/2)Γ8 orbitals, the order of the energy levels of the 4f(j = 5/2) orbitals became the same as that at room temperature. These results indicate that the crystal field varies with temperature due to the electron transfer from B 2p to Ce 5d orbitals. The difference densities after the spherical-atom refinement at the three temperatures clearly revealed the different combinations of 4f and 5d orbitals which are occupied. In the present study positive peaks due to the 4f electrons appear near the Ce nucleus and those due to 5d orbitals are found in the area outside the 4f peaks. Between the two areas there is a negative area distributed spherically at 340 K. The negative area produced by the contraction of 4f(j = 5/2)Γ8 orbitals seems to reduce the electron repulsion of the 5d(j = 5/2)Γ8 orbitals and helps the 4f(j = 5/2)Γ8 orbitals to remain as the ground state.

Effects of Electron Transfer between TiO2Films and Conducting Substrates on the Photocatalytic Oxidation of Organic Pollutants

2006 ◽  
Vol 110 (27) ◽  
pp. 13470-13476 ◽  
Author(s):  
Wenxin Dai ◽  
Xuxu Wang ◽  
Ping Liu ◽  
Yiming Xu ◽  
Guangshe Li ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Organic Pollutants ◽  
Photocatalytic Oxidation

scholarly journals Reduced graphene oxide contains a minimum of six oxygen atoms for higher dipolar strength: A DFT study

2020 ◽  
Vol 8 (1) ◽  
pp. 167-173
Author(s):  
Narinder Kumar ◽  
Bhavna Pal ◽  
Shivani Chaudhary ◽  
Devendra Singh ◽  
Devesh Kumar
Keyword(s):  
Electron Transfer ◽  
Graphene Oxide ◽  
Dipole Moment ◽  
Reduced Graphene Oxide ◽  
Diamagnetic Susceptibility ◽  
Atomic Orbital ◽  
Susceptibility Tensor ◽  
Reduced Graphene ◽  
Paramagnetic Susceptibility Tensor ◽  
Oxygen Atoms

The present work focused on the reduced graphene oxide contains a minimum of six oxygen atoms for the higher dipolar strength. The ionization potential and electron affinity decreased only for the six oxygen atoms based graphene. The six oxygen atoms based graphene have the highest dipole moment. The reduced graphene has 0.25 eV bandgap, which is very suitable for electron transfer. The six oxygen atoms based graphene leads to the least gauge including atomic orbital (GIAO) rotational tensor; however, it has the highest isotropic polarizability difference, diamagnetic susceptibility tensor difference, paramagnetic susceptibility tensor difference, and total susceptibility. The C-C bond length has increased only for the six oxygen atoms based graphene.

Dye promoted electron transfer in DUT-5/BiVO4 heterojunction for organic pollutants degradation

2022 ◽  
pp. 111740
Author(s):  
Yi Zhou ◽  
Jiaxin Li ◽  
Jin Zhang ◽  
Yongbo Chen ◽  
Tiantian Yao ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Organic Pollutants

1,2-Diaryl-1,2-disodioethanes: Versatile, Highly Reactive, and Tunable Synthetic Equivalents of Sodium Metal

2017 ◽  
Vol 70 (6) ◽  
pp. 647 ◽  
Author(s):  
Ugo Azzena
Keyword(s):  
Electron Transfer ◽  
Aromatic Ring ◽  
Organic Pollutants ◽  
Electron Donor ◽  
Persistent Organic Pollutants ◽  
Single Electron Transfer ◽  
Halogen Bonds ◽  
Sodium Metal ◽  
Arylacetic Acids ◽  
Donor Power

1,2-Diaryl-1,2-disodioethanes are easily prepared, versatile, and stable diorganometals finding application in 1,2-reductive eliminations as well as in the degradation of several persistent organic pollutants as homogeneous synthetic equivalents of a highly reactive form of Na metal. Understanding their reactivity in terms of their different electron-donor power, which is strongly affected by the nature of substituents located either on the aromatic ring(s) or on the carbanionic centers, allowed rationalization of their employment not only as chemoselective single electron transfer reducing reagents, but also as bases in the generation of enediolates of arylacetic acids bearing easily reducible carbon–halogen bonds.

Theoretical study of slow He+–Na(3s, 3p) collisions

1996 ◽  
Vol 74 (11-12) ◽  
pp. 944-949 ◽  
Author(s):  
Wolfgang Fritsch
Keyword(s):  
Electron Transfer ◽  
Cross Section ◽  
Cross Sections ◽  
Theoretical Study ◽  
Atomic Orbital ◽  
Anisotropy Parameter ◽  
Electron Dynamics ◽  
Close Coupling ◽  
Transfer Processes ◽  
Electron Transfer Processes

Electron transfer processes in He+–Na(3s, 3p) collisions are studied with the semiclassical close-coupling method. The electron dynamics is described with a number of antisymmetrized two-electron configurations of atomic-orbital type. Contrary to assumptions in earlier work, capture to the 31,3L He states is found to be important in the keV energy region. The calculated transfer cross sections agree well with recent data on Na(3p)–Na(3s) cross-section ratios and on the Na(3p0)–Na(3p1) anisotropy parameter.

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