Planar Tetracoordinate Fluorine Atoms

2020 ◽  
Author(s):  
Gabriela Castillo-Toraya ◽  
Mesias Orozco-Ic ◽  
Eugenia Dzib ◽  
Ximena Zarate ◽  
Filiberto Ortiz-Chi ◽  
...  
Keyword(s):  
Ionic Interactions ◽  
Magnetic Response ◽  
Global Minima ◽  
Group 13 ◽  
Planar Form ◽  
Bonding Scheme ◽  
Oxygen Atoms

Unlike other atoms, planar tetracoordinate fluorines are elusive. So far, there are no theoretical or experimental reports suggesting their existence. Herein, we introduce the first six combinations, whose global minima contain a planar tetracoordinate fluorine. All of them are surrounded exclusively by atoms of group 13. The bonding scheme shown by these species is entirely different from analogous systems with carbon, nitrogen, or oxygen atoms. The magnetic response characterizes these systems mostly σ-aromatic. The planar form is somewhat stabilized by subtle ionic interactions of the fluorine with the peripheral atoms, forming an adequately sized cavity. <br>

Planar Tetracoordinate Fluorine Atoms

2020 ◽  
Author(s):  
Gabriela Castillo-Toraya ◽  
Mesias Orozco-Ic ◽  
Eugenia Dzib ◽  
Ximena Zarate ◽  
Filiberto Ortiz-Chi ◽  
...  
Keyword(s):  
Ionic Interactions ◽  
Magnetic Response ◽  
Global Minima ◽  
Group 13 ◽  
Planar Form ◽  
Bonding Scheme ◽  
Oxygen Atoms

Unlike other atoms, planar tetracoordinate fluorines are elusive. So far, there are no theoretical or experimental reports suggesting their existence. Herein, we introduce the first six combinations, whose global minima contain a planar tetracoordinate fluorine. All of them are surrounded exclusively by atoms of group 13. The bonding scheme shown by these species is entirely different from analogous systems with carbon, nitrogen, or oxygen atoms. The magnetic response characterizes these systems mostly σ-aromatic. The planar form is somewhat stabilized by subtle ionic interactions of the fluorine with the peripheral atoms, forming an adequately sized cavity. <br>

scholarly journals Planar Tetracoordinate Carbons in Allene-Type Structures

2021 ◽  
Author(s):  
Meng-hui Wang ◽  
Mesias Orozco-Ic ◽  
luis leyva-parra ◽  
William Tiznado ◽  
jorge barroso ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Electrostatic Interactions ◽  
Magnetic Response ◽  
Global Minima ◽  
Covalent Bonds ◽  
Bonding Analysis ◽  
Localization Strategy ◽  
Energy Surfaces

<p>The exhaustive exploration of the potential energy surfaces of CE<sub>2</sub>M<sub>2</sub> (E = Si-Pb, M = Li, and Na) revealed seven global minima containing a planar tetracoordinate carbon (ptC). The design was based on a π-localization strategy, resulting in a ptC embedded in a linear or a bent allene-type E=C=E motif. The magnetic response showed a σ-aromaticity in the bent E=C=E fragments. The bonding analysis indicated that the ptCs form C-E covalent bonds and C-M electrostatic interactions.<b></b></p>

Nature of chemical bonds for oxygen in its compounds

1992 ◽  
Author(s):  
Donald T. Sawyer ◽  
R. J. P. Williams
Keyword(s):  
Lewis Acid ◽  
Ionic Interactions ◽  
Chemical Bonds ◽  
Acid Base ◽  
Chlorine Atoms ◽  
Oxygen Atoms

The bonding for oxygen atoms in heteratomic molecules is viewed as essentially covalent [e.g., MeOH, Me2C=O, MeCH(O), and MeC(O)OOH] and similar to that for carbon, nitrogen, and chlorine atoms. In contrast, a Lewis acid-base formalism often is used for metal-oxygen compounds with ionic interactions by dianionic oxo groups (e.g., [Ba2+O2-], [Fe6+(O2)4]2- , [Mn7+(O2-)4]-, and [(Cu+)2O2-]).

scholarly journals Planar Tetracoordinate Carbons in Allene-Type Structures

2021 ◽  
Author(s):  
Meng-hui Wang ◽  
Mesias Orozco-Ic ◽  
luis leyva-parra ◽  
William Tiznado ◽  
jorge barroso ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Electrostatic Interactions ◽  
Magnetic Response ◽  
Global Minima ◽  
Covalent Bonds ◽  
Bonding Analysis ◽  
Localization Strategy ◽  
Energy Surfaces

<p>The exhaustive exploration of the potential energy surfaces of CE<sub>2</sub>M<sub>2</sub> (E = Si-Pb, M = Li, and Na) revealed seven global minima containing a planar tetracoordinate carbon (ptC). The design was based on a π-localization strategy, resulting in a ptC embedded in a linear or a bent allene-type E=C=E motif. The magnetic response showed a σ-aromaticity in the bent E=C=E fragments. The bonding analysis indicated that the ptCs form C-E covalent bonds and C-M electrostatic interactions.<b></b></p>

Special Interest Group 13 (Swallowing and Swallowing Disorders)

ASHA Leader ◽  
2012 ◽  
Vol 17 (5) ◽  
Author(s):  
Debra Suiter ◽  
Laurie Sterling ◽  
Lynne Brady Wagner
Keyword(s):  
Interest Group ◽  
Special Interest ◽  
Swallowing Disorders ◽  
Special Interest Group ◽  
Group 13

Catalytic CO Oxidation on Unreconstructed Cu(110) by Reactive As-Adsorbed Oxygen Atoms below 230 K

1996 ◽  
Vol 100 (3) ◽  
pp. 1048-1054 ◽  
Author(s):  
Tsuyoshi Sueyoshi ◽  
Takehiko Sasaki ◽  
Yasuhiro Iwasawa
Keyword(s):  
Co Oxidation ◽  
Adsorbed Oxygen ◽  
Catalytic Co Oxidation ◽  
Oxygen Atoms

Modification of optical properties of PC-PBT/Cr2O3 and PC-PBT/CdS nanocomposites by gamma irradiation

2020 ◽  
Vol 92 (2) ◽  
pp. 20402
Author(s):  
Kaoutar Benthami ◽  
Mai ME. Barakat ◽  
Samir A. Nouh
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Band Gap ◽  
Color Difference ◽  
Band Gap Energy ◽  
Polybutylene Terephthalate ◽  
Γ Irradiation ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Oxygen Atoms

Nanocomposite (NCP) films of polycarbonate-polybutylene terephthalate (PC-PBT) blend as a host material to Cr2O3 and CdS nanoparticles (NPs) were fabricated by both thermolysis and casting techniques. Samples from the PC-PBT/Cr2O3 and PC-PBT/CdS NCPs were irradiated using different doses (20–110 kGy) of γ radiation. The induced modifications in the optical properties of the γ irradiated NCPs have been studied as a function of γ dose using UV Vis spectroscopy and CIE color difference method. Optical dielectric loss and Tauc's model were used to estimate the optical band gaps of the NCP films and to identify the types of electronic transition. The value of optical band gap energy of PC-PBT/Cr2O3 NCP was reduced from 3.23 to 3.06 upon γ irradiation up to 110 kGy, while it decreased from 4.26 to 4.14 eV for PC-PBT/CdS NCP, indicating the growth of disordered phase in both NCPs. This was accompanied by a rise in the refractive index for both the PC-PBT/Cr2O3 and PC-PBT/CdS NCP films, leading to an enhancement in their isotropic nature. The Cr2O3 NPs were found to be more effective in changing the band gap energy and refractive index due to the presence of excess oxygen atoms that help with the oxygen atoms of the carbonyl group in increasing the chance of covalent bonds formation between the NPs and the PC-PBT blend. Moreover, the color intensity, ΔE has been computed; results show that both the two synthesized NCPs have a response to color alteration by γ irradiation, but the PC-PBT/Cr2O3 has a more response since the values of ΔE achieved a significant color difference >5 which is an acceptable match in commercial reproduction on printing presses. According to the resulting enhancement in the optical characteristics of the developed NCPs, they can be a suitable candidate as activate materials in optoelectronic devices, or shielding sheets for solar cells.

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