scholarly journals Synthesis, characterization and antimicrobial activities of Co(III) and Ni(II) complexes with 5-methyl-3-formylpyrazole-N(4)-dihexylthiosemicarbazone (HMPzNHex2): X-ray crystallography and DFT calculations of [Co(MPzNHex2)2]ClO4·1.5H2O (I) and [Ni(HMPzNHex2)2]Cl2·2H2O (II)

2018 ◽  
Vol 483 ◽  
pp. 271-283 ◽  
Author(s):  
Manan Saha ◽  
Jayanta Kumar Biswas ◽  
Monojit Mondal ◽  
Debarati Ghosh ◽  
Susmita Mandal ◽  
...  
2019 ◽  
Vol 43 (31) ◽  
pp. 12417-12430 ◽  
Author(s):  
Lan-Qin Chai ◽  
Ling Zhou ◽  
Hong-Bin Zhang ◽  
Kuan-Hao Mao ◽  
Hong-Song Zhang

Three 2-D and 3-D Cu(ii), Ni(ii), and Co(iii) complexes were obtained by reaction of HL1 with different metal salts. The complexes were characterized by single-crystal X-ray crystallography and spectroscopic methods, as well as Hirshfeld surface analysis and DFT studies.


2018 ◽  
Vol 50 (1-3) ◽  
pp. 425-439 ◽  
Author(s):  
A. I. Kokorin ◽  
O. I. Gromov ◽  
P. V. Dorovatovskii ◽  
V. A. Lazarenko ◽  
V. N. Khrustalev ◽  
...  

2005 ◽  
Vol 44 (24) ◽  
pp. 3690-3694 ◽  
Author(s):  
Eric J. Klinker ◽  
József Kaizer ◽  
William W. Brennessel ◽  
Nathaniel L. Woodrum ◽  
Christopher J. Cramer ◽  
...  

Crystals ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 408 ◽  
Author(s):  
Ruo-Yan Li ◽  
Xiao-Xin An ◽  
Juan-Li Wu ◽  
You-Peng Zhang ◽  
Wen-Kui Dong

An unexpected trinuclear Co(II) complex, [Co3(L2)2(μ-OAc)2(CH3OH)2]·2CH3OH (H2L2 = 4,4′-dibromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol) constructed from a half-Salamo-based ligand (HL1 = 2-[O-(1-ethyloxyamide)]oxime-4-bromophenol) and Co(OAc)2·4H2O, has been synthesized and characterized by elemental analyses, infrared spectra (IR), UV-Vis spectra, X-ray crystallography and Hirshfeld surface analysis. The Co(II) complex contains three Co(II) atoms, two completely deprotonated (L2)2− units, two bridged acetate molecules, two coordinated methanol molecules and two crystalline methanol molecules, and finally, a three-dimensional supramolecular structure with infinite extension was formed. Interestingly, during the formation of the Co(II) complex, the ligand changed from half-Salamo-like to a symmetrical single Salamo-like ligand due to the bonding interactions of the molecules. In addition, the antimicrobial activities of HL1 and its Co(II) complex were also investigated.


ChemInform ◽  
2004 ◽  
Vol 35 (34) ◽  
Author(s):  
Ibon Alkorta ◽  
Jose Elguero ◽  
Nadine Jagerovic ◽  
Alain Fruchier ◽  
Glenn P. A. Yap

2015 ◽  
Vol 51 (27) ◽  
pp. 5840-5843 ◽  
Author(s):  
Thirumurugan Prakasam ◽  
Matteo Lusi ◽  
Elisa Nauha ◽  
John-Carl Olsen ◽  
Mohamadou Sy ◽  
...  

Stereoisomerization and the unprecedented phenomenon of metal translocation in the absence of redox processes were probed in two inherently chiral bimetallic [2]catenanes by using a combination of variable-temperature 1H NMR and CD spectroscopies, X-ray crystallography, and DFT calculations.


2013 ◽  
Vol 1046 ◽  
pp. 64-73 ◽  
Author(s):  
F.M. Oliveira ◽  
L.C.A. Barbosa ◽  
A.J. Demuner ◽  
C.R.A. Maltha ◽  
S.A. Fernandes ◽  
...  

2015 ◽  
Vol 11 ◽  
pp. 1-8 ◽  
Author(s):  
Gert Kollenz ◽  
Ralf Smounig ◽  
Ferdinand Belaj ◽  
David Kvaskoff ◽  
Curt Wentrup

The structures of two derivatives of the bisdioxine diisocyanate 1, the bisurea 4 and the biscarbamate 5, are established by X-ray crystallography and DFT calculations. These compounds possess endo,endo structures, in the case of the bisurea 4 with two nearly parallel pendant chains. The X-ray structures are reproduced very well by DFT calculations. Similar endo,endo conformations are calculated for the bisamide crown ether derivatives 7, where two proximate and nearly parallel crown ether units endow the molecules with a claw-like molecular cleft or tweezer structure as evidenced by an enhanced ability to extract some alkali, alkaline earth and rare earth metal ions.


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