scholarly journals Solid State Structure of Bis[(bromo)(dicyclopentadienyl)vanadium(μ2-fluoro)][(bromo)(cyclopentadienyl)vanadium][tetrafluoroborate]

2015 ◽  
Vol 2015 ◽  
pp. 1-4
Author(s):  
Lisa M. Chan ◽  
Atta M. Arif ◽  
Richard D. Ernst
Keyword(s):  
Solid State ◽  
Coordination Sphere ◽  
Mixed Valence ◽  
Monoclinic Space Group ◽  
State Structure ◽  
Cyclopentadienyl Ligands ◽  
Cyclopentadienyl Ligand ◽  
Mixed Valence Compound ◽  
Fluoride Ligands ◽  
Ferrocenium Cation

The new complex [V(C5H5)2Br]2(μ2-F)2[V(C5H5)Br]+[BF4]− has been isolated from the reaction of vanadocene monobromide with the ferrocenium cation. The complex is a mixed valence compound composed of two V(IV) and one V(III) centers. The V(III) center has one cyclopentadienyl ligand in its coordination sphere, as well as a bromide and two fluoride ligands. Each fluoride ligand is also attached to one of the V(IV) centers, which additionally is coordinated by a bromide and two cyclopentadienyl ligands. The complex crystallizes in the monoclinic space group P21/m, with a=7.66490(10) Å, b=15.2457(2) Å, c=13.3185(2) Å, and β=101.2721(8)° at 150(1) K.

Pt(NH3)2(SCN)2J: Ein Platinkomplex mit gemischter Wertigkeit / Pt(NH3)2(SCN)2I: A Mixed Valence Platinum Compound

1976 ◽  
Vol 31 (2) ◽  
pp. 194-197 ◽  
Author(s):  
K. D. Buse ◽  
H. J. Keller ◽  
D. Nöthe
Keyword(s):  
Solid State ◽  
Metal Complex ◽  
Linear Chain ◽  
Mixed Valence ◽  
Molecular Iodine ◽  
Platinum Compound ◽  
Physical Evidence ◽  
Mixed Valence Compound

Pt(NH3)2(SCN)2 dissolved in liquid SO2 reacts with molecular iodine to yield a green lustrous solid of stoichiometry Pt(NH3)2(SCN)2I. The compound is diamagnetic in the solid state and in solution and has to be taken for a platinum(II, IV) mixed valence compound, therefore. Chemical and physical evidence so far suggest a linear chain solid with either iodide-bridged metal complex chains or metal complex stacks with parallel triiodide chains.

Notizen: Solid State Structure of N,N-Dibenzylhydroxylamine

1995 ◽  
Vol 50 (4) ◽  
pp. 699-701 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Jürgen Riede ◽  
Klaus Angermaier ◽  
Hubert Schmidbaur
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of N,N-dibenzylhydroxylamine (1) has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 21/n with four formula units in the unit cell. N,N-dibenzylhydroxylamine dimerizes to give N2O2H2 sixmembered rings as a result of the formation of two hydrogen bonds O - H ··· N in the solid state.

scholarly journals Novel Enantiomerically Pure Ferrocenes

1996 ◽  
Vol 51 (3) ◽  
pp. 437-440 ◽  
Author(s):  
Adolphus A . H. van der Zeijden ◽  
J. Sieler ◽  
E. Hovestreydt
Keyword(s):  
Solid State ◽  
Ammonium Salt ◽  
State Structure ◽  
X Ray Diffraction ◽  
Dimethylamino Group ◽  
Enantiomerically Pure ◽  
Solid State Structure ◽  
X Ray ◽  
Cyclopentadienyl Ligand

Abstract A chiral ferrocene (CpE2Fe) was synthesized by reaction of CpELi with FeCl2(THF)1.5 The cyclopentadienyl ligand CpE contains a dimethylamino group that is separated from the Cp backbone by two stereogenic carbon centres. Reaction of CpE2Fe with excess Mel affords the ammonium salt CpE2Fe.2MeI. Its solid state structure was determined by X-ray diffraction methods.

Solid-state structure and electronic properties of a mixed-valence two-dimensional metal, potassium copper sulfide (KCu4S3)

1980 ◽  
Vol 19 (7) ◽  
pp. 1945-1950 ◽  
Author(s):  
David B. Brown ◽  
Jon A. Zubieta ◽  
P. A. Vella ◽  
James T. Wrobleski ◽  
Timothy Watt ◽  
...  
Keyword(s):  
Solid State ◽  
Electronic Properties ◽  
Copper Sulfide ◽  
Mixed Valence ◽  
Two Dimensional ◽  
State Structure ◽  
Solid State Structure

Solid-State Modeling. VI. 2,3-Diketopiperazine: the Integration of Crystallographic and Spectroscopic Evidence

1998 ◽  
Vol 54 (6) ◽  
pp. 859-865 ◽  
Author(s):  
A. T. H. Lenstra ◽  
B. Bracke ◽  
B. van Dijk ◽  
S. Maes ◽  
C. Van Alsenoy ◽  
...  
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Gas Phase ◽  
Molecular Geometry ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
State Structure ◽  
Normal Vibrations ◽  
Spectral Changes

2,3-Diketopiperazine (2,3-piperazinedione) crystallizes in the monoclinic space group P21/c with a = 5.941 (3), b = 10.080 (3), c = 8.282 (2) Å and β = 95.87 (3)°. The six-membered ring adopts a skew-boat conformation with Q = 0.467 (3) Å, θ = 64.6 (3)° and φ = 269.8 (4)°. Ab initio calculations show that the perfect skew-boat with its C 2 symmetry is broken by the formation of two intermolecular N—H...O bonds, involving only one of the C=O groups of the 2,3-diketopiperazine molecule. Vibrational spectra were recorded in solution and in the solid state. The assignment of the normal vibrations is proposed based on comparison with spectra of similar molecules and spectral changes due to deuteration. Ab initio calculations for the isolated molecule and the solid-state structure were used to calculate differences in the molecular geometry in the gas phase and crystalline state. Using these reference structures we calculated the stretching frequencies for the C=O groups. We predict an IR shift for C=O of 130 cm−1, when the molecule goes from the gas phase to the solid state. The observed shift is 110 cm−1. The differences between the C=O moieties in the solid state produce a calculated Δν of 55 cm−1, which matches satisfactorily the observed value of 49 cm−1.

Preparation and structure of 2-chloro-1,3-dimethyldiaza-2-arsenane, 1,3-dimethyldiaza-2-arsenanium tetrachlorogallate, and butadiene cycloadducts of diazarsenium cations

1996 ◽  
Vol 74 (11) ◽  
pp. 2209-2216 ◽  
Author(s):  
Neil Burford ◽  
Charles L.B. Macdonald ◽  
Trenton M. Parks ◽  
Gang Wu ◽  
Borzena Borecka ◽  
...  
Keyword(s):  
Solid State ◽  
Chloride Ion ◽  
2D Nmr ◽  
Diels Alder ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
State Structure ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

1,3-Dimethyldiaza-2-arsenanium tetrachlorogallate (crystal data: C5H12AsCl4GaN2, M = 386.61, orthorhombic, space group Pca21, a = 14.432(3) Å, b = 6.7580(14) Å, c = 13.905(3) Å, V = 1356.2(5) Å3) is synthesized by the routine chloride ion abstraction procedure from 2-chloro-1,3-dimethyldiaza-2-arsenane (crystal data: C5H12AsClN2, M = 210.54, monoclinic, space group P21/n, a = 7.206(1) Å, b = 9.650(1) Å, c = 13.021(2) Å, β = 99.61(2)°, V = 892.8(2) Å3). X-ray crystallographic studies of both compounds are described together with that for 2-chloro-1,3-dimethyldiaza-2-arsolidine (crystal data: C4H10AsClN2, M = 196.51, monoclinic, space group P21/n, a = 6.959(7) Å, b = 9.23(2) Å, c = 12.14(2) Å, β = 95.4(1)°, V = 777(4) Å3) providing useful structural comparisons. In contrast to the closely related arsolidinium salts, the diazarsenanium gallate exhibits a monomeric solid state structure. Rapid and quantitative cycloaddition reactions of the diazarsolidinium and diazarsenanium cations with 2,4-dimethylbutadiene give similar cycloadducts. The Diels–Alder type arsolidinium adduct is structurally characterized (crystal data: C10H20AsCl4GaN2, M = 454.73, orthorhombic, space group Pca21, a = 18.471(2) Å, b = 7.000(2) Å, c = 13.738(1) Å, V = 1776.2(8) Å3), and the related structure of the arsenanium cycloadduct is confirmed by 2D NMR. Key words: arsenium, cycloadditions, arsenanium, Diels–Alder, cyclochloroarsines.

Tris(tri-o-tolyl phosphite-κP)nickel: a coordinatively unsaturated nickel(0) complex

2015 ◽  
Vol 71 (3) ◽  
pp. 188-190 ◽  
Author(s):  
Sven S. Kampmann ◽  
Brian W. Skelton ◽  
Duncan A. Wild ◽  
George A. Koutsantonis ◽  
Scott G. Stewart
Keyword(s):  
Solid State ◽  
Cone Angle ◽  
Planar Geometry ◽  
Monoclinic Space Group ◽  
State Structure ◽  
Intramolecular Contact ◽  
Space Group ◽  
Solid State Structure ◽  
Phosphite Ligands

A previously reported complex, [Ni(C21H21O3P)3] or Ni[P(O-o-tolyl3)3] [Gosser & Tolman (1970).Inorg. Chem.9, 2350–2353], crystallized in the monoclinic space groupC2/c, and its solid-state structure was determined. The Ni0atom adopts an essentially trigonal-planar geometry as a consequence of the steric congestion of the ligands. Three of the phenoxy rings on two phosphite ligands were modelled as being disordered over two sets of sites, and the occupancy factors were set at 0.5 after trial refinement and intramolecular contact considerations. The exact ligand cone angle has been calculated to be 163.6°.

scholarly journals The Structure of the Tetra-Potassium Salt of Calix[4]Arene Dihydroxyphosphonic Acid

2007 ◽  
Vol 2 (1) ◽  
pp. 98-101
Author(s):  
Adina N. Lazar ◽  
Oksana Danylyuk ◽  
Kinga Suwinska ◽  
Anthony W. Coleman
Keyword(s):  
Solid State ◽  
Coordination Sphere ◽  
Potassium Salt ◽  
Major Element ◽  
State System ◽  
Water Molecules ◽  
State Structure ◽  
Electrostatic Forces ◽  
The Face ◽  
Solid State System

The solid-state structure of the tri-potassium calix[4]arene dihydroxyphosphonate salt is presented. In this structure, two potassium cations bridge between layers of dimeric calixarene diphosphonate units and two other potassium cations bridge along the face of the layers. The ubiquitous dimeric association of the calixarenes shows the highest interdigitation value so far observed. As expected, the cations are solvated and are complexed exo with respect to calixarene crown. The octahedral coordination sphere of the potassium cations is formed by two phosphonate groups of the calixarenes and four water molecules. Electrostatic forces represent the major element of interaction in the solid-state system.

Synthesis and Crystal Structures of Dimethylsilylene-Bridged (Amidocyclopentadienyl)dichlorotitanium(IV) Complexes with Various Substituents on the Cyclopentadienyl Ligand

2001 ◽  
Vol 66 (4) ◽  
pp. 605-620 ◽  
Author(s):  
Jaroslav Zemánek ◽  
Petr Štěpnička ◽  
Karla Fejfarová ◽  
Róbert Gyepes ◽  
Ivana Císařová ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Single Crystal ◽  
Spectral Methods ◽  
Nmr Spectra ◽  
Bulky Substituent ◽  
State Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cyclopentadienyl Ligand

(Amidocyclopentadienyl)dichlorotitanium(IV) complexes of the general formula [TiCl2{η5:η1(N)-C5(1-SiMe2Nt-Bu-2,3,4-Me3-5-R)}], where R = H (6b), Ph (6c), 4-fluorophenyl (6d) and 1-methylallyl (6e) were synthesized and characterized by spectral methods. Solid-state structure of [TiCl2{η5:η1(N)-C5Me4(SiMe2Nt-Bu)}] (6a) and 6d determined by single-crystal X-ray diffraction showed that variation of the ring substituent R has only a negligible effect on the molecular structure of the complexes. The NMR spectra indicate that motion of the bulky substituent R in compounds 6c, 6d and 6e is hindered below ca 50 °C.

Synthesis and Crystal Structure of 5,10,15,20-Tetrakis(3,5-dinitrophenyl)porphyrin

1998 ◽  
Vol 02 (05) ◽  
pp. 391-396 ◽  
Author(s):  
P. BHYRAPPA ◽  
K. S. SUSLICK
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structure Data ◽  
Crystal Structure Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

The synthesis, characterization and crystal structure of the octanitro-substituted porphyrin 5,10,15,20-tetrakis(3,5-dinitrophenyl)porphyrin, H 2 T (3,5- DNP ) P , are described. The solid state structure has two porphyrins in the unit cell with eight pyridine solvates and is made up from columnar arrays of the porphyrins. X-ray crystal structure data: monoclinic, space group P1 21/n1, a = 14.9996(9) Å, b = 8.2489(5) Å, c = 24.818(2) Å, α = 90 °, β = 104.172(1) °, γ = 90 °, V = 2977.3(3) Å3, dcalc = 1.440 g m-3, Z = 2.

Sign in / Sign up

Export Citation Format

Share Document