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1.
ACS Appl Mater Interfaces ; 12(1): 527-537, 2020 Jan 08.
Article in English | MEDLINE | ID: mdl-31820908

ABSTRACT

Investigations into conversion-type materials such as transition-metal oxides have dominated in energy-storage systems, especially for lithium ion batteries in recent years. A common understanding of taking account of high energy density and high power density allows us to design reasonable electrodes. In this study, the unique Fe3O4@nitrogen-doped carbon (denoted as Fe3O4@NC) nanocapsule with self-formed channels was synthesized based on a facile hydrothermal-coating-annealing route. With respect to the effect of this rational architecture on lithium-storage performance, excellent behavior (a high reversible capacity of 480 mAh g-1) could be maintained at 20 A g-1 during 1000 cycles, with an average Coulombic efficiency of 99.97%. It also means that such a Fe3O4@NC electrode can meet a fast-charge challenge (end-of-charge within ∼2 min). By a series of investigations, we certainly considered that uniform carbon coating improved electrical conductivity and acted as a buffer layer to accommodate volume variations of Fe3O4 nanoparticles during cycling. It is more interesting that self-formed channels can effectively shorten the ion diffusion path and provide a necessary space to buffer volume expansion as well. Benefiting from these synergetic advantages, this Fe3O4@NC nanocapsule also delivered outstanding electrochemical performances in full cells.

2.
Article in English | MEDLINE | ID: mdl-24046585

ABSTRACT

In the title complex, [Zn(C18H10N4O2)(CH4O)], the Zn(2+) cation is located on a mirror plane and is coordinated by a tetradentate Schiff base ligand anion (L (2-)) and a methanol mol-ecule. The Zn(2+) cation is surrounded by two N atoms and two O atoms from L (2-), in a nearly planar configuration, and one methanol O atom, forming a slightly distorted square-pyramidal geometry. The methanol molecule is disordered over two sets of sites in a 0.5:0.5 ratio. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into chains parallel to [001].

3.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 7): m956, 2012 Jul 01.
Article in English | MEDLINE | ID: mdl-22807778

ABSTRACT

The title compound, [Fe(C(12)H(8)N(2))(3)](C(6)H(5)N(2)O(2))(2), consists of one [Fe(phen)(3)](2+) cation (phen = 1,10-phenanthroline) and two 1,1-dicyano-2-eth-oxy-2-oxoethanide anions. Five atoms of the anion are disordered over two positions [site occupancy = 0.521 (13) for the major component]. In the complex cation, the Fe(II) atom is coordinated by six N atoms from three phen ligands in a distorted octa-hedral geometry. Two intra-molecular C-H⋯N hydrogen bonds occur in the complex cation. The crystal structure is mainly stabilized by Coulombic inter-actions. Weak intermolecular C-H⋯N inter-actions are also observed.

4.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 6): m758, 2012 Jun 01.
Article in English | MEDLINE | ID: mdl-22719317

ABSTRACT

Mol-ecules of the title compound, [Co(C(12)H(8)Cl(2)N(3))(3)], lie on a threefold rotation axis. The tris-N,N'-chelated Co(III) atom, which is located on the threefold rotation axis, shows a distorted octa-hedral coordination.

5.
Dalton Trans ; 39(10): 2497-503, 2010 Mar 14.
Article in English | MEDLINE | ID: mdl-20179842

ABSTRACT

Three isostructural heterobimetallic nitrilotriacetatoperoxotitanate complexes of general formula [M(H(2)O)(5)](2)[Ti(2)(O(2))(2)O(nta)(2)].7H(2)O [M = Co (1), Ni (2) and Zn (3)] have been isolated in pure crystals directly from the quaternary system of M(2+)-Ti(OC(4)H(9))(4)-H(2)O(2)-H(3)nta (H(3)nta = nitrilotriacetic acid) at pH = 4.0 and have been characterized by elemental analyses, IR, thermal analysis (TGA), and single-crystal X-ray diffraction. Single crystal X-ray analysis reveals that the titanium atom in these complexes features seven-fold-coordination, each surrounded by six oxygen atoms and one nitrogen atom. The divalent transition metal ions in these compounds are hexa coordinated, surrounded by five water molecules and one bridged carboxylato oxygen atom. The TGA and XRD results prove that complexes 1-3 undergo facile thermal decomposition to form pure CoTiO(3), NiTiO(3) and ZnTiO(3) at 700 degrees C respectively. The morphologies, microstructures, and crystallinity of the residues obtained after pyrolysis were characterized by transmission electron microscopy and powder X-ray diffraction.

6.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 5): o1030, 2010 Apr 10.
Article in English | MEDLINE | ID: mdl-21579094

ABSTRACT

The title compound, C(16)H(25)NO(2), which was synthesized by a Mannich reaction route, is a rare example of an organic compound containing the six-membered oxazine ring. The ring adopts a chair conformation and the N atom is pyramidal. The N atom serves as a hydrogen-bond acceptor to the phenolic OH group.

7.
Acta Crystallogr C ; 65(Pt 8): m291-5, 2009 Aug.
Article in English | MEDLINE | ID: mdl-19652303

ABSTRACT

The crystal structures of acetonitrile solvates of two related lithium calixarene complexes have been determined by low-temperature single-crystal X-ray diffraction using synchrotron radiation. Bis(mu-5,11,17,23-tetra-tert-butyl-26,28-dihydroxy-25-methoxy-27-oxidocalix[4]arene)dilithium(I) acetonitrile tetrasolvate, [Li2(C45H57O4)2].4C2H3N or [p-tert-butylcalix[4]arene(OMe)(OH)2(OLi)](2).4MeCN, (I), crystallizes with the complex across a centre of symmetry and with four molecules of unbound acetonitrile of crystallization per complex. Tetraacetonitrilebis(mu-5,11,17,23-tetra-tert-butyl-26,28-dihydroxy-25,27-dioxidocalix[4]arene)tetralithium(I) acetonitrile octasolvate, [Li4(C44H54O4)2(C2H3N)4].8C2H3N or {p-tert-butylcalix[4]arene(OH)2(OLi)[OLi(NCMe)2]}(2).8MeCN, (II), also crystallizes with the complex lying across a centre of symmetry and contains eight molecules of unbound acetonitrile per complex plus four more directly bound to two of the lithium ions, two on each ion. The cores of both complexes are partially supported by O-H...O hydrogen bonds. The methoxy methyl groups in (I) prevent the binding of any more than two Li+ ions, while the corresponding two O-atom sites in (II) bind an extra Li(+) ion each, making four in total. The calixarene cone adopts an undistorted cone conformation in (I), but an elliptical one in (II).


Subject(s)
Calixarenes/chemistry , Lithium Compounds/chemistry , Lithium/chemistry , Calixarenes/radiation effects , Crystallography, X-Ray , Molecular Structure , Synchrotrons
8.
Chemistry ; 14(29): 9020-9029, 2008.
Article in English | MEDLINE | ID: mdl-18696524

ABSTRACT

Thermolysis of [Cp*P{W(CO)5}2] (1) in the presence of [{CpMo(CO)2}2] leads to the novel complexes [{(CO)2Cp*W}{CpMo(CO)2}(micro,eta2:eta1:eta1-P2{W(CO)5}2)] (6; Cp=eta5-C5H5, Cp*=eta5-C5Me5), [{(micro-O)(CpMoWCp*)W(CO)4}{micro3-PW(CO)5}2] (7), [{CpMo(CO)2}2{Cp*W(CO)2}{micro3-PW(CO)5}] (8) and [{CpMo(CO)2}2{Cp*W(CO)2}(micro3-P)] (9). The structural framework of the main products 8 and 9 can be described as a tetrahedral Mo2WP unit that is formed by a cyclisation reaction of [{CpMo(CO)2}2] with an [Cp*(CO)2W[triple chemical bond]P-->W(CO)5] intermediate containing a W--P triple bond and subsequent metal-metal and metal-phosphorus bond formation. Photolysis of 1 in the presence of [{CpMo(CO)2}2] gives 8, 9 and phosphinidene complex [(micro3-PW(CO)5){CpMo(CO)2W(CO)5}] (10), in which the P atom is in a nearly trigonal-planar coordination environment formed by one {CpMo(CO)2} and two {W(CO)5} units. Comprehensive structural and spectroscopic data are given for the products. The reaction pathways are discussed for both activation procedures, and DFT calculations reveal the structures with minimum energy along the stepwise Cp* migration process under formation of the intermediate [Cp*(CO)2W[triple chemical bond]P-->W(CO)5].

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