Home  About us  Contact
 

Nitrate Anions (nitrate + anion)

Distribution by Scientific Domains
Chemistry100%

Selected Abstracts

A Combined QM/MM Molecular Dynamics Simulations Study of Nitrate Anion (NO3 - ) in Aqueous Solution.

CHEMINFORM, Issue 9 2007
Anan Tongraar
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF. [source]

Study on the Photochromism of Ni,Al Layered Double Hydroxides Containing Nitrate Anions

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 14 2006
Min Wei
Abstract The photochromism of nitrate-containing nickel,aluminum layered double hydroxides (NiAl-NO3 -LDHs) has been studied. Powder X-ray diffraction (PXRD), FTIR, UV/Vis, XPS, ESR, EXAFS, and elemental analysis were used to investigate the structure, composition, and photochromic behavior of NiAl-NO3 -LDHs. A possible photochromic mechanism in NiAl-NO3 -LDHs has been proposed.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) [source]

ChemInform Abstract: Interaction of Trivalent Lanthanide Cations with Nitrate Anions: A Quantum Chemical Investigation of Monodentate/Bidentate Binding Modes.

CHEMINFORM, Issue 3 2002
Marc Dobler
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is trackable via the "References" option. [source]

Continuous medium theory for nonequilibrium solvation: III.

JOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 4 2005
Solvation shift by monopole approximation, multipole expansion in spherical cavity
Abstract According to the classical electrodynamics, a new and reasonable method about electrostatic energy decomposition of the solute-solvent system has been proposed in this work by introducing the concept of spring energy. This decomposition in equilibrium solvation gives the clear comprehension for different parts of total electrostatic free energy. Logically extending this cognition to nonequilibrium leads to the new formula of electrostatic free energy of nonequilibrium state. Furthermore, the general solvation shift for light absorption/emission has been reformulated and applied to the ideal sphere case with the monopole approximation and multipole expansion. Solvation shifts in vertical ionizations of atomic ions of some series of main group elements have been investigated with monopole approximation, and the variation tendency of the solvation shift versus atomic number has been discussed. Moreover, the solvation shift in photoionization of nitrate anion in glycol has been investigated by the multipole expansion method. © 2005 Wiley Periodicals, Inc. J Comput Chem 4: 399,409, 2005 [source]

Poly[bis(,2 -2-aminopyrazine-,2N1:N4)(,2 -nitrato-,2O:O)(nitrato-,2O,O,)disilver(I)]: an achiral two-dimensional coordination polymer forming chiral crystals

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 12 2009
Di Sun
The solution reaction of AgNO3 and 2-aminopyrazine (apyz) in a 1:1 ratio gives rise to the title compound, [Ag2(NO3)2(C4H5N3)2]n, (I), which possesses a chiral crystal structure. In (I), both of the crystallographically independent AgI cations are coordinated in tetrahedral geometries by two N atoms from two apyz ligands and two O atoms from nitrate anions; however, the AgI centers show two different coordination environments in which one is coordinated by two O atoms from two different symmetry-related nitrate anions and the second is coordinated by two O atoms from a single nitrate anion. The crystal structure consists of one-dimensional AgI,apyz chains, which are further extended by ,2 -,2O:O nitrate anions into a two-dimensional (4,4) sheet. N,H...O and Capyz,H...O hydrogen bonds connect neighboring sheets to form a three-dimensional supramolecular framework. [source]

Bis(di-2-pyridylamine-,2N2,N2,)(nitrato-,2O,O,)nickel(II) nitrate

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 7 2009
Juraj, ernák
In the ionic title compound, [Ni(NO3)(C10H9N3)2]NO3, the central NiII atom exhibits cis -NiN4O2 octahedral coordination with three chelating ligands, viz. one nitrate anion and two di-2-pyridylamine (dpya) molecules. A second nitrate group acts as a counter-ion. The complex cations and the nitrate anions are also linked by N,H...O hydrogen bonds. The compound was prepared in two different reproducible ways: direct synthesis from Ni(NO3)2 and dpya yielded systematically twinned crystals (the twinning law is discussed), while single crystals were obtained unexpectedly from the Ni(NO3)2/dpya/maleic acid/NaOH system. [source]

trans -Di­aqua(2,2,-bi­quinoline- N,N,)(nitrato- O,O,)­nickel(II) nitrate hydrate

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 11 2001
Eleonora Freire
The structure of the title compound, [Ni(NO3)(C18H12N2)(H2O)2]NO3·H2O, is composed of monomers with the nickel ion octahedrally coordinated to a bidentate bi­quinoline ligand, a bidentate nitrate anion and two water mol­ecules, and is stabilized by a nitrate counter-ion and a hydrate water mol­ecule. There is a fairly complex hydrogen-bonding scheme involving all the water H atoms and five different nitrate O atoms. [source]

Nitrate-Selective Solid Contact Electrodes with Poly(3-octylthiophene) and Poly(aniline) as Ion-to-Electron Transducers Buffered with Electron-Ion-Exchanging Resin

ELECTROANALYSIS, Issue 13-14 2006
Galina
Abstract The study of nitrate selective solid contact electrodes containing poly(3-octyl)thiophene and poly(aniline) demonstrated the advantage of buffering the transducing layer with electron-ion-exchanging resin. The buffering, in particular in the case of poly(aniline) doped with nitrate anions ensured significant improvement of the long-term stability and piece-to-piece reproducibility of the electrode potentials. It is shown that the redox species causes potential drift after a long time delay, probably because of slow diffusion in the membrane bulk. [source]

Solid-State and Solution Structure of Lanthanide(III) Complexes with a Flexible Py-N6 Macrocyclic Ligand

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 8 2009
Cristina Núñez
Abstract Lanthanide complexes of a hexaaza macrocyclic ligand containing a pyridine head unit (L) were synthesized (Ln = La,Lu, except Pm). The solid-state structures of the corresponding La, Ce, Pr, Nd, and Lu complexes were determined by single-crystal X-ray crystallography, and they reveal the presence of three different mononuclear complexes with three different conformations of the macrocycle and coordination environments around the metal ions. In all complexes the lanthanide ion is coordinated in an endomacrocyclic manner to the six nitrogen donor atoms of the ligand. In the La, Ce, and Pr complexes the metal ions show a 12-coordinate mononuclear environment in which 3 nitrate anions coordinate in a bidentate fashion. However, in the Nd analogue the metal ion displays a 10-coordinated environment with the coordination of 2 bidentate nitrate groups, whereas Lu shows a 9-coordinate environment interacting with 2 nitrate ligands, one of them acting as bidentate and the second one coordinating in a monodentate fashion. The 1H and 13C NMR spectra of the complexes recorded in CD3CN suggest that the complexes adopt in solution a similar structure to that observed for the Nd complex in the solid state. The [Ln(L)(NO3)3] and [Ln(L)(NO3)2]+ complexes were characterized by density functional theory (DFT) calculations (B3LYP model). The structures obtained from these calculations for La, Ce, Pr, and Nd are in good agreement with the experimental solid-state structures. The relative stabilities of the [Ln(L)(NO3)2]+ complexes with respect to the [Ln(L)(NO3)3] ones (Ln = La, Nd, Gd, Ho, or Lu) were studied both in vacuo and in acetonitrile solution (PCM model) at the same computational level. Our calculations indicate that in solution the [Ln(L)(NO3)2]+ species is the most stable one along the whole lanthanide series, in agreement with the NMR spectroscopic data.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009) [source]

Two cobalt(III) mono-dimethylglyoximates isolated from one reaction

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 9 2010
Agnieszka Czapik
The reaction of cobalt(II) nitrate hexahydrate with dimethylglyoxime (DMGH2) and 1,10-phenanthroline (phen) in a 1:1:2 molar ratio results in two CoIII mono-dimethylglyoximates having two chelating phen ligands in cis positions and the CoIII atom coordinated by six N atoms in a distorted octahedral coordination geometry. The isolated products differ in the deprotonation state of the DMGH2 ligand. In [,-hydrogen bis(N,N,-dioxidobutane-2,3-diimine)]tetrakis(1,10-phenanthroline)cobalt(III) trinitrate ethanol disolvate 1.87-hydrate, [Co2(C4H6N2O2)(C4H7N2O2)(C12H8N2)4](NO3)3·2C2H6O·1.87H2O, (I), the C2 -symmetric cation is formed with the coordination [Co(DMG)(phen)2]+ cations aggregating via a very strong O,...H+...O, hydrogen bond with an O...O distance of 2.409,(4),Å. Crystals of (I) exhibit extensive disorder of the solvent molecules, the nitrate anions and one of the phen ligands. Compound (I) is a kinetic product, not isolated previously from similar systems, that transforms slowly into (N -hydroxy- N,-oxidobutane-2,3-diimine)bis(1,10-phenanthroline)cobalt(III) dinitrate ethanol monosolvate 0.4-hydrate, [Co(C4H7N2O2)(C12H8N2)2](NO3)2·C2H6O·0.40H2O, (II), with the DMGH, ligand hydrogen bonded to one of the nitrate anions. In (II), the solvent molecules and one of the nitrate anions are disordered. [source]

Orientational disorder in ,-cobalt(III) sepulchrate trinitrate

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 4 2010
Andreas Schönleber
The crystal structure of ,-(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III) trinitrate, [Co(C12H30N8)](NO3)3, consists of a sepulchrate moiety that serves as a macrobicyclic nitrogen cage for the Co3+ cation, which is six-coordinated by N atoms, and three nitrate anions. The Co,sepulchrate group lies on a threefold axis (site symmetry 32), as do two symmetry-related and ordered nitrate groups (site symmetry 3), with which it is connected via N,H...O hydrogen bonds [Co,N = 5.1452,(12),Å]. The third nitrate group is disordered as a result of symmetry requirements around the origin (site symmetry 32), and is further away from the Co,sepulchrate cage [Co,N = 6.3160,(8),Å]. The structure is described by applying orientational disorder over six equivalent orientations for the disordered nitrate group, which is considered as an ideal planar molecule of regular trigonal geometry with its molecular plane rotated out of the ab plane and the molecular centre of gravity slightly shifted away from the origin. This new model for disorder clearly improves a previous crystal structure determination. [source]

Poly[bis(,2 -2-aminopyrazine-,2N1:N4)(,2 -nitrato-,2O:O)(nitrato-,2O,O,)disilver(I)]: an achiral two-dimensional coordination polymer forming chiral crystals

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 12 2009
Di Sun
The solution reaction of AgNO3 and 2-aminopyrazine (apyz) in a 1:1 ratio gives rise to the title compound, [Ag2(NO3)2(C4H5N3)2]n, (I), which possesses a chiral crystal structure. In (I), both of the crystallographically independent AgI cations are coordinated in tetrahedral geometries by two N atoms from two apyz ligands and two O atoms from nitrate anions; however, the AgI centers show two different coordination environments in which one is coordinated by two O atoms from two different symmetry-related nitrate anions and the second is coordinated by two O atoms from a single nitrate anion. The crystal structure consists of one-dimensional AgI,apyz chains, which are further extended by ,2 -,2O:O nitrate anions into a two-dimensional (4,4) sheet. N,H...O and Capyz,H...O hydrogen bonds connect neighboring sheets to form a three-dimensional supramolecular framework. [source]

Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 9 2009
Balasubramanian Sridhar
In lamotrigine [systematic name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine], C9H7Cl2N5, (I), the asymmetric unit contains one lamotrigine base molecule. In lamotriginium chloride [systematic name: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium chloride], C9H8Cl2N5+·Cl,, (II), the asymmetric unit contains one lamotriginium cation and one chloride anion, while in lamotriginium nitrate, C9H8Cl2N5+·NO3,, (III), the asymmetric unit contains two crystallographically independent lamotriginium cations and two nitrate anions. In all three structures, N,H...N hydrogen bonds form an R22(8) dimer. In (I) and (II), hydrophilic layers are sandwiched between hydrophobic layers in the crystal packing. In all three structures, hydrogen bonds lead to the formation of a supramolecular hydrogen-bonded network. The significance of this study lies in its illustration of the differences between the supramolecular aggregation in the lamotrigine base and in its chloride and nitrate salts. [source]

Bis(di-2-pyridylamine-,2N2,N2,)(nitrato-,2O,O,)nickel(II) nitrate

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 7 2009
Juraj, ernák
In the ionic title compound, [Ni(NO3)(C10H9N3)2]NO3, the central NiII atom exhibits cis -NiN4O2 octahedral coordination with three chelating ligands, viz. one nitrate anion and two di-2-pyridylamine (dpya) molecules. A second nitrate group acts as a counter-ion. The complex cations and the nitrate anions are also linked by N,H...O hydrogen bonds. The compound was prepared in two different reproducible ways: direct synthesis from Ni(NO3)2 and dpya yielded systematically twinned crystals (the twinning law is discussed), while single crystals were obtained unexpectedly from the Ni(NO3)2/dpya/maleic acid/NaOH system. [source]

Two-dimensional hydrogen-bonded networks in 1-(diaminomethylene)thiouron-1-ium nitrate and bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 3 2009
Jan Janczak
Crystals of the title compounds, C2H7N4S+·NO3,, (I), and 2C2H7N4S+·HPO32,·H2O, (II), are built up from 1-(diaminomethylene)thiouron-1-ium cations and nitrate anions in (I), and from phosphonate anions and water molecules in (II). In both crystals, the cations and anions are linked together via N,H...O hydrogen bonds. The 1-(diaminomethylene)thiouron-1-ium cations exhibit a twisted conformation. Both arms of the cations are planar and are turned in opposite directions around the C,N bond involving the central N atom. Hydrogen-bonding interactions join oppositely charged units into layers in the nitrate salt and into double layers in the phosphonate monohydrate salt. In addition, the structures are stabilized by ,,, interactions between the delocalized , bonds of the cations. The significance of this study lies in the illustration of the differences between the supramolecular aggregations in the nitrate and phosphonate salts of a small organic molecule. The different geometries of the counter-ions and their different potential for hydrogen-bond formation results in markedly different hydrogen-bond arrangements. [source]

Manganese(II) and cobalt(II) complexes of 1,4-bis(diphenylphosphinoyl)butane

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 1 2009
Anthony M. J. Lees
The title complexes, catena -poly[[[diaquadiethanolmanganese(II)]-,-1,4-bis(diphenylphosphinoyl)butane-,2O:O,] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate], {[Mn(C2H6O)2(C28H28O2P2)(H2O)2](NO3)2·C28H28O2P2}n, (I), and catena -poly[[[diaquadiethanolcobalt(II)]-,-1,4-bis(diphenylphosphinoyl)butane-,2O:O,] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate], {[Co(C2H6O)2(C28H28O2P2)(H2O)2](NO3)2·C28H28O2P2}n, (II), are isostructural and centrosymmetric, with the MII ions at centres of inversion. The coordination geometry is octahedral, with each metal ion coordinated by two trans ethanol molecules, two trans water molecules and two bridging 1,4-bis(diphenylphosphinoyl)butane ligands which link the coordination centres to form one-dimensional polymeric chains. Parallel chains are linked by hydrogen bonds to uncoordinated 1,4-bis(diphenylphosphinoyl)butane molecules, which are bisected by a centre of inversion. Further hydrogen bonds, weak C,H...O interactions to nitrate anions, and weak C,H..., interactions serve to stabilize the structure. This study reports a development of the coordination chemistry of bis(diphenylphosphinoyl)alkanes, with the first reported structures of complexes of the first-row transition metals with 1,4-bis(diphenylphosphinoyl)butane. [source]

Tetraaquabis(2-methoxybenzaldehyde isonicotinoylhydrazone)cadmium(II) dinitrate

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 10 2007
Zhongwu Fu
The CdII centre in the title complex, [Cd(C14H13N3O2)2(H2O)4](NO3)2, occupies a crystallographic inversion centre and is coordinated by two donor N atoms from two 2-methoxybenzldehyde isonicotinoylhydrazone ligands and by four O atoms from four coordinated water molecules, giving a slightly distorted octahedral geometry. There is an extended three-dimensional network structure resulting from O,H...O hydrogen bonds between coordinated water and nitrate anions, and between coordinated water and carbonyl O atoms, and from N,H...O hydrogen bonds between NH groups and nitrate O atoms. [source]

Crystallographic report: Bis(tetraphenylphosphonium) bis(dichloro-nitratophenylstannate)methane, [Ph4P+]2 [(PhCl2(NO3)Sn)2CH2]2,

APPLIED ORGANOMETALLIC CHEMISTRY, Issue 11 2003
Klaus Jurkschat
Abstract Each tin atom of the title compound is five-coordinate, defined by 2C, 2Cl and 1O atoms, and shows a distorted square pyramidal configuration stabilized by intramolecular Sn· · ·O or Sn· · ·Cl interactions. Both nitrate anions coordinate the tin atoms in a monodentate mode. Copyright © 2003 John Wiley & Sons, Ltd. [source]

Preparation of LLDPE/MgAl-LDH Exfoliation Nanocomposites with Enhanced Thermal Properties by Melt Intercalation

CHINESE JOURNAL OF CHEMISTRY, Issue 10 2006
Long-Chao Du
Abstract The interlayer surface of MgAl layered double hydroxide (MgAl-LDH) was modified by exchanging about half of the interlayer nitrate anions by dodecyl sulfate anions (DS) to get MgAl(H-DS) LDH, and then the MgAl(H-DS) was melt intercalated by LLDPE to get the LLDPE/MgAl-LDH exfoliation nanocomposites. The samples were characterized by Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), ion chromatography, transmission electron microscopy (TEM), and thermogravimetry analysis (TGA). The nanoscale dispersion of MgAl-LDH layers in the LLDPE matrix was verified by the disappearance of (00l) XRD reflection of the modified MgAl-LDH and by the TEM observation. The TGA profiles of LLDPE/MgAl-LDH nanocomposites show a faster charring process between 210 and 370 °C and a higher thermal stability above 370 °C than LLDPE. The decomposition temperature of the nanocomposites with 10 wt% MgAl(H-DS) can be 42 °C higher than that of LLDPE at 40% weight loss. [source]

Structure of Hexakis (imidazole) nickel (II) Nitrate Water Solvate: [Ni(Im)6](NO3)2 -4H2O

CHINESE JOURNAL OF CHEMISTRY, Issue 10 2002
Fang-Fang Jian
Abstract Crystal structure of the title compound, [Ni(Im)6] (NO3)2·4H2O (Im = imidazole), was determined by X-ray crystallographic analysis. The crystal structure consists of discrete Ni(Im)26+ cation, NO,3 anion and four uncoordinated water molecules. It crystallizes in the hexagonal system, space group P63, with lattice parameters a = b = 0.9003(2) nm, c = 2.1034(4) nm, and Z = 2. The Ni(II) ion is centro- symmetric octahedron geometry with the NiN6 core. Six imidazole molecules are coordinated to each nickel (II) atom through its tertiary nitrogen atom. The short and long bond distances of Ni-N are 0.2059(6) and 0.2204(7) nm, respectively. In the solid state, [Ni(Im)6]2+, H2O moieties and nitrate anions form the three dimensional hydrogen bonds network which stabitizes the crystal structure. [source]