Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study

2020 ◽  
Vol 118 ◽  
pp. 113906 ◽  
Author(s):  
Faizan Ullah ◽  
Naveen Kosar ◽  
Asghar Ali ◽  
Maria ◽  
Tariq Mahmood ◽  
...  
Keyword(s):  
High Performance ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
First Principle ◽  
Potential Applications ◽  
Nlo Materials

scholarly journals Mechanochemistry of fluoride solids: from mechanical activation to mechanically stimulated synthesis

ChemTexts ◽  
2021 ◽  
Vol 7 (2) ◽  
Author(s):  
Gudrun Scholz
Keyword(s):  
Mechanical Activation ◽  
Mechanochemical Synthesis ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Technical Equipment ◽  
Metal Compounds ◽  
Potential Applications ◽  
The Given ◽  
Mechanochemical Reactions

Abstract This lecture text is focused on the comparatively young field of mechanochemistry of fluoride solids, considering both their mechanical activation and their mechanochemical synthesis. Beside a literature survey, the mechanochemical synthesis of binary fluorides MF2, MF3, of complex fluorides MMgF4, of solid solutions MaxMb1−xF2 or M1−xLnxF2+x (Ln: Y, Eu) and of fluorine-containing coordination polymers is presented. Owing to their interesting potential applications in the field of fluoride ion conductivity or luminescence properties when doped, most of the given examples are alkaline earth metal compounds. A short historical survey, remarks on peculiarities and consequences of mechanical activation as well as the necessary technical equipment for mechanochemical reactions precede the section. Graphic abstract

Two deep-ultraviolet nonlinear optical alkaline-earth metal borates based on different types of oxoboron clusters

2017 ◽  
Vol 46 (24) ◽  
pp. 7911-7916 ◽  
Author(s):  
Qi Wei ◽  
Li Sun ◽  
Jie Zhang ◽  
Guo-Yu Yang
Keyword(s):  
Nonlinear Optical ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Layered Structures ◽  
Alkaline Earth Metal ◽  
Different Types ◽  
Nlo Materials ◽  
Deep Ultraviolet ◽  
Deep Uv

Two non-centrosymmetric alkaline-earth metal borates were synthesized, showing the layered structures constructed from different oxoboron clusters and potentially new candidates for deep-UV NLO materials.

scholarly journals Efficient Oxidative Esterification of Furfural Using Au Nanoparticles Supported on Group 2 Alkaline Earth Metal Oxides

Catalysts ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 430 ◽  
Author(s):  
Camila P. Ferraz ◽  
Adriano H. Braga ◽  
Mohamed Nawfal Ghazzal ◽  
Michał Zieliński ◽  
Mariusz Pietrowski ◽  
...  
Keyword(s):  
High Performance ◽  
Alkaline Earth ◽  
Au Nanoparticles ◽  
High Selectivity ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Oxide Supports ◽  
Oxidative Esterification ◽  
Molar Ratios ◽  
Group 2

Furfural (FF) is a strategic product for the development of highly valued chemicals from biomass. The oxidation product of FF, furoic acid (FA), is an important precursor for the synthesis of green esters, such as methyl furoate. Taking into account issues with the direct furfural oxidation, furfural derivatives, such as alkyl furoates, can be easily prepared via oxidative esterification. Here, Au nanoparticles that were immobilized on alkaline-earth metal oxide supports were studied for the oxidative esterification of furfural while using alcohol as both reactant and solvent. The formation of esters is favored by the presence of basic sites on catalyst surface, resulting in high selectivity, preventing the formation of the acetal as a by-product. The Au/MgO sample provided up to 95% methyl furoate (MF) yield, a fast reaction rate, and high performance for furfural:Au molar ratios between 50 and 300. Furthermore, this catalyst was stable during reuse, since both the selectivity and the activity were maintained after four cycles. Oxidative esterification products were achieved in the presence of other alcohols, leading to the formation of esters of up to C5 (isopentyl furoate) with high selectivity (>99%). Linear and branched esters were formed, but the long-chain linear alcohols resulted in higher yields, such as n-butyl furoate in 94% yield.

Regulating the NLO response of anthraquinone-supported thiourea-linked crown ether macrocycle by introducing metal cations: A DFT study

2020 ◽  
Vol 19 (05) ◽  
pp. 2050017
Author(s):  
Yao Yao ◽  
Jin-Ting Ye ◽  
Xiang Li ◽  
Yuan Zhang ◽  
Si-Nan Zhu ◽  
...  
Keyword(s):  
Density Functional ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Metal Cations ◽  
Alkaline Earth Metal ◽  
Functional Theory ◽  
Nlo Properties ◽  
Thiourea Group ◽  
Nlo Materials ◽  
The Subject

Recently, an anthraquinone-supported thiourea group linking a 1-aza-18-crown-6 macrocycle L has been the subject of extensive attention due to the perfect affinity towards metal cations. This work systematically researched the effects of different metal cations ([Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text]) on the second-order nonlinear optical (NLO) properties of macrocycle L by density functional theory (DFT). DFT calculations revealed that the values of first hyperpolarizabilities ([Formula: see text] decrease significantly when alkaline earth metal cations ([Formula: see text] and [Formula: see text]) were injected into macrocycle L due to the smaller charge transfer (CT) transition and larger transition energy. Conversely, the variations of [Formula: see text] values in alkali metal cations ([Formula: see text] and [Formula: see text] and transition metal cations ([Formula: see text] and [Formula: see text]) derivatives are not obvious compared to the [Formula: see text] value of macrocycle L. Therefore, the NLO properties of macrocycle can be effectively regulated by alkaline earth metal cations. Furthermore, we found that the [Formula: see text] value of anion-controlled complex Na(L)(ClO4) is larger than that of L*Na+ complex because the anion [Formula: see text] improves the planarity of anthraquinone-supported thiourea group leading to the enhancement of the CT ability. In addition, the influence of frequency-dependent on the first hyperpolarizabilities is weak for the current systems. Hence, we look forward to the conception of this work will offer a fundamental guideline and reference for further research for novel NLO materials.

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