The crystal structure of the 2,2′-biquinolyl (biq) complex of manganese(II) chloride, an intramolecular ferromagnet, provides empirical data on the relation between structure and magnetic exchange. The complex is binuclear, with a pair of...
moreThe crystal structure of the 2,2′-biquinolyl (biq) complex of manganese(II) chloride, an intramolecular ferromagnet, provides empirical data on the relation between structure and magnetic exchange. The complex is binuclear, with a pair of chlorine atoms bridging the metal atoms in a central Mn2Cl2 plane. The bridging Mn–Cl bonds are slightly elongated and three stronger bonds hold the bidentate biq ligands and the remaining chlorine to each metal atom. Crystals are triclinic, space group P, with Z= 1, in a unit cell of dimensions: a= 11.275(3), b= 10.115(6), c= 14.681(8)A, α= 95.71(7), β= 133.49(4), γ= 118.50(4)°, U= 791 A3. The structure was determined from diffractometer data by the heavy-atom method and refined by least-squares to R 2.7% for 1 288 reflections.
Abstract Boron based fluoride anion receptors as electrolyte additives would significantly improve lithium ion battery performance. Fluorinated versions of triarylboranes, boronate esters, boroxines, and other boron based anion receptors...
moreAbstract Boron based fluoride anion receptors as electrolyte additives would significantly improve lithium ion battery performance. Fluorinated versions of triarylboranes, boronate esters, boroxines, and other boron based anion receptors have potential applications in the design of high specific energy lithium ion batteries. There is also an emerging interest in recent years in the design of colorimetric sensors for the fluoride anion, especially in aqueous systems, using boron based anion receptors. This mini review highlights the recent trends in the design and applications of the boron based fluoride anion receptors as electrolyte additives and as colorimetric sensors.
Page 1. 2384 Znorg. Chem. 1980. reported herein, four-coordinate gallium is present with either five-or six-coordinate iron. It can be noted that for the usual nitrogen base systems, where monomeric species are formed, gallium ...
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely...
moreAn entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The crystal structure of the stable toluene solvate of bis(N1,N1,N5,N5-tetrabenzyl-2,4-dithiobiureto)nickel(II) shows that the solvent molecules are held within lattice cavities of well-defined size and shape. Recrystallisation from a...
moreThe crystal structure of the stable toluene solvate of bis(N1,N1,N5,N5-tetrabenzyl-2,4-dithiobiureto)nickel(II) shows that the solvent molecules are held within lattice cavities of well-defined size and shape. Recrystallisation from a mixture of xylenes was found to yield selectively the p-xylene solvate.
ABSTRACT Ferrocenecarboxaldehyde reacts with 2-amino-benzoic acid in benzene to give the Schiff base derivative 2-ferrocenyl- methylidenimino-benzoic acid (η5-C5H5)Fe[(η5-C5H4)CH NC6H4COOH] (1). 1 is stable as a solid but easily...
moreABSTRACT Ferrocenecarboxaldehyde reacts with 2-amino-benzoic acid in benzene to give the Schiff base derivative 2-ferrocenyl- methylidenimino-benzoic acid (η5-C5H5)Fe[(η5-C5H4)CH NC6H4COOH] (1). 1 is stable as a solid but easily hydrolyzes in solution. Selective hydrogenation of the imine group can be performed using NaBH4 to obtain the parent amine (η5- C5H5) Fe[(η5-C5H4)CH2NH& z.sbnd;C6H4COOH]. (2). The molecular structure of 2 has been determined by single-crystal X-ray methods. It crystallizes in the space group P21/c, a=11.077(9), b =7.430(2), c=19.194(9) Å, β=111.02(4)°, V=1474(2) Å3, Z=4. Refinement of the structure gave final R factor of 0.038 (Rw=0.035) for 1106 unique reflections having Fo2>2.8σ(Fo2). 2 is stable both in the solid state and solution, and a potential chelating N,O-donor ligand containing a ferrocenyl group. A one-electron oxidation process was found by cyclic voltammetry (0.1 M NBun4PF6, CH2Cl2) for 1 and 2 at 0.74 and 0.51 V, respectively.
... T. Leon Venable, Ekk Sinn, and Russell N. Grimes Department of Chemistry, University of Virginia, Charlottesville, Virginia 2290 I , USA ... Of those small differences that are apparent (eg, in the basal BB distance), most are...
more... T. Leon Venable, Ekk Sinn, and Russell N. Grimes Department of Chemistry, University of Virginia, Charlottesville, Virginia 2290 I , USA ... Of those small differences that are apparent (eg, in the basal BB distance), most are probably not significant. ...
The reaction of copper(II) and nickel(II)N-alkylsalicylaldimine complexes with copper(II) and nickel(II) nitrate respectively, results in a series of binuclear copper(II) and trinuclear nickel(II) complexes. The copper complexes exhibit...
moreThe reaction of copper(II) and nickel(II)N-alkylsalicylaldimine complexes with copper(II) and nickel(II) nitrate respectively, results in a series of binuclear copper(II) and trinuclear nickel(II) complexes. The copper complexes exhibit strong pairwise antiferromagnetic interactions and are assigned an approximately planar structure with coordinated nitrato-groups. The nickel complexes show no strong exchange interactions, but they appear to be weakly ferromagnetic. The proposed structure for these complexes contains a central octahedral nickel bonded to two nitrato-groups and two pseudo-tetrahedral nickel atoms. The nitrato-group behaves like a halogen in the copper complexes, but there is no halogen analogue of the nickel complexes.
Magnetic properties of a series of antiferromagnetic binuclear complexes correlate closely with their structures, as determined by single crystal, X-ray diffraction analyses.
The copper and nickel complexes of (prp)2en (2-hydroxypropiophenone imine) have been used as ligands to form binuclear complexes with the bis(hexafluoroacetylacetonato)metal(II) complexes M′(hfa)2, where M′ = copper(II), nickel(II),...
moreThe copper and nickel complexes of (prp)2en (2-hydroxypropiophenone imine) have been used as ligands to form binuclear complexes with the bis(hexafluoroacetylacetonato)metal(II) complexes M′(hfa)2, where M′ = copper(II), nickel(II), cobalt(II), and manganese(II). The structures of the resulting binuclear complexes M((prp)2en)M′(hfa)2 were determined from single-crystal X-ray diffraction using counter methods, and their magnetic properties were studied using high-precision magnetic susceptibility measurements in the range 4-300 K. The complexes consist of a four-coordinated metal atom M in a distorted planar environment and M′ in a distorted octahedron: The extent of distortion of the planar geometry about M is approximately constant for all of the complexes, but the geometry about M′ is distorted to different degrees in the different complexes, and the distortion is greatest when M′ = Cu and least when M′ = Mn. The complexes with Cu((prp)2en) exhibited antiferromagnetic exchange interactions, while the complexes with Ni((prp)2en) are essentially magnetically normal, exhibiting the expected properties of the M′ ion. The structural similarity of the complexes with Cu((prp)2en) and Ni((prp)2en) therefore requires that the interactions observed in Cu((prp)2en)M′(hfa)2 are entirely intramolecular in origin. The magnetic interactions in the hfa complexes from Cu((prp)2en) are relatively weak when compared with those of analogous dimeric halide complexes; for Cu((prp)2en)Cu(hfa)2, the singlet-triplet separation, -2J, is 44.8 cm-1, compared with 232 cm-1 for a typical related complex for which the main molecular change in substitution is Cl for hfa. The J values in the Cu((prp)2en)M′(hfa)2 complexes correlate with the structural features regardless of the nature of M′ for the series studied. Crystal data for Cu((prp)2en)Cu(hfa)2: space group P21/c, Z = 4, a = 13.702 (3) Å, b = 20.010 (8) Å, c = 12.579 (3) Å, β = 96.81 (1)°, V = 3424 Å3, R = 4.0%, 3508 reflections. Crystal data for Ni((prp)2en)Cu(hfa)2: space group P1, Z = 2, a = 10.484 (3) Å, b = 12.446 (8) Å, c = 13.766 (3) Å, α = 91.00 (4)°, β = 92.60 (2)°, γ = 110.73 (4)°, V = 1677 Å3, R = 3.5%, 3440 reflections. Crystal data for Cu((prp)2en)Co(hfa)2: space group P21/c, Z = 4, α = 13.576 (7) Å, b = 20.281 (7) Å, c = 12.540 (7) Å, β = 97.99 (5)°, V = 3419 Å3, R = 4.2%, 3254 reflections. Crystal data for Ni((prp)2en)Co(hfa)2: space group P21/c, Z = 4, a = 13.468 (3) Å, b = 20.307 (5) Å, c = 12.587 (2) Å, β = 97.42 (2)°, V = 3413 Å3, R = 5.6%, 4075 reflections. Crystal data for Cu((prp)2en)Mn(hfa)2: space group P21/c, Z = 4, a = 13.511 (6) Å, b = 20.65 (1) Å, c = 12.548 (5) Å, β = 97.60 (4)°, V = 3470 Å3, R = 4.4%, 2550 reflections. Crystal data for Ni((prp)2en)Mn(hfa)2: space group P21/c, Z = 4, a = 13.387 (7) Å, b = 20.61 (1) Å, c = 12.605 (5) Å, β = 97.07 (4)°, V = 3452 Å3, R = 4.6%, 2409 reflections. © 1979 American Chemical Society
The title complexes Au(pq)Cl3 and Au(pq)Br3 (pq = 2-(2′-pyridyl)quinoline) have been synthesized and their crystal and molecular structures determined from X-ray data obtained by counter methods. The compounds are isomorphous and...
moreThe title complexes Au(pq)Cl3 and Au(pq)Br3 (pq = 2-(2′-pyridyl)quinoline) have been synthesized and their crystal and molecular structures determined from X-ray data obtained by counter methods. The compounds are isomorphous and crystallize in the space group P212121, with Z = 4 in unit cells of dimensions a = 7.711 (7), b = 10.04 (1), and c = 19.34 (4) Å (Au(Pq)Cl3) and a = 8.050 (4), b = 10.13 (2), and c = 19.52 (1) Å (Au(pq)Br3). The structures were solved by the heavy-atom method and refined by full-matrix least squares to R = 6.5% (Au(pq)Cl3, 1511 reflections) and R = 5.1% (Au(pq)Br3, 907 reflections). The compounds consist of discrete diamagnetic five-coordinated molecules. The distribution of the ligands about the metal is approximately square pyramidal with the axial ligand displaced from the vertical and at a relatively great distance from the metal, so that they may also be described as strongly distorted square planar. The direction of the distortion is such as to reduce the energy of the high-spin (triplet) state but not enough to produce a high-spin ground state. © 1978 American Chemical Society
Small-molecule analogues of the specific iron-binding site of the iron tyrosinate protein lactoferrin have been prepared and characterized. The single-crystal X-ray structure of an N-methylimidazole adduct of one of these...
moreSmall-molecule analogues of the specific iron-binding site of the iron tyrosinate protein lactoferrin have been prepared and characterized. The single-crystal X-ray structure of an N-methylimidazole adduct of one of these complexes,(2-(benzimidazol-2-ylmethyl) ...
The mesophase properties of bis(5-alkoxytropolonato)copper(II) complexes are reported and interpreted in terms of d-layer spacings, which indicate considerable intertwining of the alkyl chains. The mesogenic properties depend on the...
moreThe mesophase properties of bis(5-alkoxytropolonato)copper(II) complexes are reported and interpreted in terms of d-layer spacings, which indicate considerable intertwining of the alkyl chains. The mesogenic properties depend on the nature of the 5-substituent: to be mesogenic, it must be alkoxy with n > 8, and may not be 5-alkanoyl or 5-alkylamino. The nature of the metal is also important: to be mesogenic, it may be Cu(II) or UO(2)(VI) but not Ni(II), Zn(II), Co(II), or VO(IV). The crystal structure of bis(5-hexadecyloxytropolonato)copper(II) shows how, even in the crystalline state, molecular packing is dominated by the interactions between alkyl chains, together with copper-oxygen interactions. In the Cu(II) complexes, strong interactions occur between Cu atoms and O atoms of neighboring molecules. These are stronger than alkyl-alkyl interactions and therefore dominate alkyl-alkyl interactions between neighbors which otherwise govern the possibility and nature of mesogenic properties. The Cu.O interactions disrupt alkyl-alkyl chain interactions enough to produce a mesophase; such interactions do not obtain in the T(d)() Zn(II) and Co(II) complexes, and indeed, these complexes are not mesogenic. Likewise, alkyl chain interactions by the oxygens of the UO(2)(VI) lead to a mesophase, and U constitutes the heaviest metal ever placed into a mesogenic molecule. In the case of VO(IV), analogous synthetic steps from VOSO(4) led to a new series of binuclear complexes [(VO)(2)(SO(4))(5-alkoxytropoloato)(2)].
Unusual structure and temperature dependent behavior of the proton nmr spectrum in a number of diamagnetic N,Ndialkyldithiocarbamate complexes of di- and trivalent transition metal ions, [M(CSLNRZ)~n ]=, 2, 3 may be accounted for by a...
moreUnusual structure and temperature dependent behavior of the proton nmr spectrum in a number of diamagnetic N,Ndialkyldithiocarbamate complexes of di- and trivalent transition metal ions, [M(CSLNRZ)~n ]=, 2, 3 may be accounted for by a total line-shape analysis in terms of an appropriate and general two-proton exchange model using a density matrix formalism. This has been done in detail for a limited range of basic, well-defined, simple, and representative members of the above series, using the diethyl-, di-n-propyl-, diisopropyl-, diisobutyl-, and dibenzyldithiocarbamates of nickel(I1) and cobalt(II1) Where possible a tentative physical interpretation of the model is given.
... Acknowledgment. This material is based upon work supported by the National Science Foundation under Grant CHE-8100419 (RJA). ... The computing programs used are described in ref 19. (19) Freyberg, DP; Mockler, GM; Sinn, EJ Chem. SOC.,...
more... Acknowledgment. This material is based upon work supported by the National Science Foundation under Grant CHE-8100419 (RJA). ... The computing programs used are described in ref 19. (19) Freyberg, DP; Mockler, GM; Sinn, EJ Chem. SOC., Dalton Tram. 1976,447. ...
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely...
moreAn entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely...
moreAn entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely...
moreAn entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.