QR-SCMEH-MO calculations on the complex [Pt (SnCl3)5]3−: Electronic structure, UV-visible spectrum, magnetic properties, and bond energy

2012 ◽  
Vol 112 (16) ◽  
pp. 2801-2807 ◽  
Author(s):  
Edward A. Boudreaux
2020 ◽  
pp. 2150004
Author(s):  
Pham Van Thang ◽  
Dang Duc Dung ◽  
Luong Huu Bac ◽  
Pham Phi Hung ◽  
Tran Vu Diem Ngoc

The NiTiO3 ceramic was synthesized in nanostructured form by citrate gel method. The phase structure, microstructure and magnetic properties of synthesized compounds were investigated by X-ray diffraction (XRD), scanning electron microscope and vibrating sample magnetometer. Williamson–Hall plot was used to calculate the crystallite size and microstrain of sample. The XRD analysis showed the formation of rhombohedral crystal structure of synthesized powders. The crystallite size is about 35[Formula: see text]nm and microstrain is [Formula: see text]. The optical band gap was estimated from UV-Visible spectrum with value of 2.43[Formula: see text]eV. The NiTiO3 samples showed coexistence of ferroelectric and antiferromagnetic properties at room temperature.


1999 ◽  
Vol 121 (9) ◽  
pp. 1893-1901 ◽  
Author(s):  
Guillermina Lucia Estiú ◽  
Michael C. Zerner

2020 ◽  
Author(s):  
Riccardo Mobili ◽  
Sonia La Cognata ◽  
Francesca Merlo ◽  
Andrea Speltini ◽  
Massimo Boiocchi ◽  
...  

<div> <p>The extraction of the succinate dianion from a neutral aqueous solution into dichloromethane is obtained using a lipophilic cage-like dicopper(II) complex as the extractant. The quantitative extraction exploits the high affinity of the succinate anion for the cavity of the azacryptate. The anion is effectively transferred from the aqueous phase, buffered at pH 7 with HEPES, into dichloromethane. A 1:1 extractant:anion adduct is obtained. Extraction can be easily monitored by following changes in the UV-visible spectrum of the dicopper complex in dichloromethane, and by measuring the residual concentration of succinate in the aqueous phase by HPLC−UV. Considering i) the relevance of polycarboxylates in biochemistry, as e.g. normal intermediates of the TCA cycle, ii) the relevance of dicarboxylates in the environmental field, as e.g. waste products of industrial processes, and iii) the recently discovered role of succinate and other dicarboxylates in pathophysiological processes including cancer, our results open new perspectives for research in all contexts where selective recognition, trapping and extraction of polycarboxylates is required. </p> </div>


2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.


1995 ◽  
Vol 384 ◽  
Author(s):  
Zhi-Qiang Li ◽  
Yuichi Hashi ◽  
Jing-Zhi Yu ◽  
Kaoru Ohno ◽  
Yoshiyuki Kawazoe

ABSTRACTThe electronic structure and magnetic properties of rhodium clusters with sizes of 1 - 43 atoms embedded in the nickel host are studied by the first-principles spin-polarized calculations within the local density functional formalism. Single Rh atom in Ni matrix is found to have magnetic moment of 0.45μB. Rh13 and Rhl 9 clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is tha.t Rh43 cluster, which is bulk-like nonmagnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.


2005 ◽  
Vol 367 (1-4) ◽  
pp. 61-71 ◽  
Author(s):  
Y. Yang ◽  
C. Jing ◽  
J.G. Yang ◽  
S.X. Cao ◽  
J.C. Zhang

2001 ◽  
Vol 63 (12) ◽  
Author(s):  
A. Ślebarski ◽  
E. D. Bauer ◽  
Shi Li ◽  
M. B. Maple ◽  
A. Jezierski

2008 ◽  
Vol 41 (11) ◽  
pp. 115004 ◽  
Author(s):  
Xingtao Jia ◽  
Wei Yang ◽  
Hong Li ◽  
Minghui Qin

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