An 129I Mössbauer study of organotin iodides

1981 ◽  
Vol 59 (11) ◽  
pp. 1585-1591 ◽  
Author(s):  
C. H. W. Jones ◽  
M. Dombsky
Keyword(s):  
Solid State ◽  
Additive Model ◽  
Mössbauer Study ◽  
Tetrahedral Geometry ◽  
Mössbauer Data

Iodine-129 Mössbauer data for SnI4, MeSnI3, Me2SnI2, Me3SnI, Me3SnI2−, Me3SnI.py, and Me2SnI2.2py are reported. The data are compared with available nqr data for the corresponding chlorides and bromides. The Mössbauer data are interpreted as evidence that MeSnI3, Me2SnI2, and Me3SnI are distorted from tetrahedral geometry in the solid state. The applicability of the additive model in interpreting 119Sn quadrupole splittings in these compounds is commented on.

A Mössbauer study of organotellurium compounds. Part I

1976 ◽  
Vol 54 (20) ◽  
pp. 3234-3241 ◽  
Author(s):  
Colin H. W. Jones ◽  
Robert Schultz ◽  
William R. McWhinnie ◽  
Nigel S. Dance
Keyword(s):  
Additive Model ◽  
Mössbauer Study ◽  
Wide Range ◽  
Mössbauer Data ◽  
Organotellurium Compounds

Mössbauer data for a wide range of organotellurium compounds are reported, including compounds of the type: R2Te, Ar2Te, Ar2Te2, R2TeX2, Ar2TeX2, and ArTeX3; where R = alkyl, Ar = aryl, and X = Cl, Br, or I. The isomer shifts and quadrupole splittings are interpreted in terms of the relative populations of the tellurium 5s and 5p orbitals. The quadrupole splittings are rationalized in terms of a simple additive model, formulated within the framework of the Townes and Dailey theory.

scholarly journals Spectroscopic, X-ray Diffraction and Density Functional Theory Study of Intra- and Intermolecular Hydrogen Bonds in Ortho-(4-tolylsulfonamido)benzamides

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 926
Author(s):  
Malose J. Mphahlele ◽  
Eugene E. Onwu ◽  
Marole M. Maluleka
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Tetrahedral Geometry ◽  
Hindered Rotation ◽  
Hydrogen Bond Acceptor ◽  
Functional Theory ◽  
Vis Spectroscopy ◽  
Hydrogen Bonded

The conformations of the title compounds were determined in solution (NMR and UV-Vis spectroscopy) and in the solid state (FT-IR and XRD), complemented with density functional theory (DFT) in the gas phase. The nonequivalence of the amide protons of these compounds due to the hindered rotation of the C(O)–NH2 single bond resulted in two distinct resonances of different chemical shift values in the aromatic region of their 1H-NMR spectra. Intramolecular hydrogen bonding interactions between the carbonyl oxygen and the sulfonamide hydrogen atom were observed in the solution phase and solid state. XRD confirmed the ability of the amide moiety of this class of compounds to function as a hydrogen bond acceptor to form a six-membered hydrogen bonded ring and a donor simultaneously to form intermolecular hydrogen bonded complexes of the type N–H···O=S. The distorted tetrahedral geometry of the sulfur atom resulted in a deviation of the sulfonamide moiety from co-planarity of the anthranilamide scaffold, and this geometry enabled oxygen atoms to form hydrogen bonds in higher dimensions.

Syntheses and vibrational spectra of some tris(alkanethiolato)mercurate(II) complexes, and crystal structure of the Hexakis(methanethiolato)dimercurate(II) dianion

1984 ◽  
Vol 37 (8) ◽  
pp. 1607 ◽  
Author(s):  
GA Bowmaker ◽  
IG Dance ◽  
BC Dobson ◽  
DA Rogers
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Vibrational Spectra ◽  
Crystal Data ◽  
Tetrahedral Geometry ◽  
Space Group ◽  
Spectroscopic Evidence ◽  
Distorted Tetrahedral Geometry ◽  
Complex Anions

The complexes [cation] [Hg(SR)3](R = Me, cation = Et4N+; R = But, cation = Et4N+, Bu4N+, [N(Ph3P)2]+) have been prepared. The crystal structure of the methanethiolate complex shows that it contains centrosymmetric dinuclear anions [(MeS)2Hg(�-SMe)2Hg(SMe)2]2- with distorted tetrahedral geometry about the mercury atoms. Vibrational spectroscopic evidence suggests that this complex dissociates on dissolution in ethanol to give mononuclear [Hg(SMe)3]- species. The ButS- complexes appear to exist as mononuclear [Hg(SBut)3]- species both in the solid state and in solution. The metal-sulfur stretching frequencies are assigned for all of the complexes studied, and the vibrational spectra are discussed in terms of the structures of the complex anions involved. Crystal data for [(C2H5)4N]2Hg2(SCH3)6 : a 8.656(5), b gS130(6), c 12.368(8) �; α 102.16(4), β 105.51(4), γ 105.29(4)�; space group P1, Z 1, R 0.034, Rw 0.042.

Eine unerwartete Synthese des Triphenyphosphazenium-chlorids, [(C6H5)3PNH2]+CI– und eine Neubestimmung seiner Kristallstruktur / An Unaspected Synthesis of Triphenylphosphazenium Chloride, [(C6H5)3PNH2]+Cl– , and a Redeterm ination of its Crystal Structure

1996 ◽  
Vol 51 (6) ◽  
pp. 865-868 ◽  
Author(s):  
H. Vogt ◽  
A. Fischer ◽  
P. G. Jones
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Tetrahedral Geometry ◽  
Triclinic Space Group ◽  
Space Group

Abstract Triphenylphosphazenium chloride has been prepared by the reaction of triphenylphosphine with trimethylsilylazide in impure, wet dichloromethane. Yields are improved as stoichiometric quantities of water are added. Colourless crystals are obtained by recrystallization from the same solvent. The crystals are triclinic, space group P1̅, Z=2, a = 894,6(3), b - 979,8(3), c = 1142,9(4) pm, α = 107,27(3), β = 93,70(3), y = 92,97(3)°. In the solid state the compound exists as [(C6H5)3PNH2]+ cations, and Cl- anions. Dimeric units are formed by H-bonding. The crystal structure contains one molecule CH2Cl2 per one molecule (C6H5)3PNH2Cl. The cation has a slightly irregular tetrahedral geometry around the P-atom with a relatively short P-N bond

Reactions of a pincer proligand with copper iodide: bridging instead of C–H metalation

2020 ◽  
Vol 98 (9) ◽  
pp. 524-530
Author(s):  
Taghrid Chahrour ◽  
Annie Castonguay ◽  
Paul O. Oguadinma ◽  
Frank Schaper ◽  
Davit Zargarian
Keyword(s):  
Solid State ◽  
The Other ◽  
Strong Preference ◽  
Pincer Complexes ◽  
Divalent Copper ◽  
Copper Iodide ◽  
Tetrahedral Geometry ◽  
Central Carbon ◽  
Copper Center ◽  
Solid State Structures

Various precursors of divalent copper have been treated with the meta-disubstituted phenylene-based proligand POC(H)OP (1,3-(i-Pr2PO)2C6H4) with the objective of preparing classical pincer complexes (POCOP)CuX. However, in no case was such species obtained, presumably owing to the difficult C–H metallation step. Analogous reactions of monovalent precursors were also unsuccessful, whereas reaction of POC(H)OP with CuI under different conditions gave the non-metallated adducts {(μ, κP, [Formula: see text]-POC(H)OP)Cu(μ-Ι)}2, 1, {(μ, κP, [Formula: see text]-POC(H)OP)Cu2(μ-Ι)2(DMAP)2}, 2 (DMAP = 4-dimethylaminopyridine), and {(μ, κP, [Formula: see text]-POC(H)OP)Cu2(μ3-Ι)2}2, 3. Treating 1 with DMAP gave the adduct 2, whereas 3 could be obtained by treating 1 with BuLi or by sublimation of 1. The solid state structures of these complexes revealed the tetrahedral geometry that might be anticipated for the d10 Cu(I) centers, in addition to fairly close I–H distances; on the other hand, no C–H interaction (agostic or otherwise) was observed with the Cu centers in any of these structures. The unsuccessful metallation of the C(2)–H moiety is thought to be a result of the strong preference of monovalent copper center to form bridging interactions with iodide and the POC(H)OP ligand; this appears to prevent the approach of the central carbon of the ligand to the Cu centers.

57Fe and 125Te Mossbauer Study of LiFeCo3TeO8 and LiFeNi3TeO8

1980 ◽  
Vol 3 ◽  
Author(s):  
Andre Gerard ◽  
Fernande Grandjean ◽  
Carlo Flebus
Keyword(s):  
Structural Information ◽  
Magnetic Hyperfine ◽  
Hyperfine Fields ◽  
Mössbauer Study ◽  
Mössbauer Data

ABSTRACT57 Fe and 125 Te Mössbauer data on the spinels LiFeNi3TeO8 and LiFeCo3TeO8 are presented. Structural information relating to site occupations by Fe, valency of Fe and Te and magnetic hyperfine fields are obtained from this study.

Packing forces in dichloridobis(3,5-diphenyl-1H-pyrazole-κN2)cobalt(II) dichloromethane hemisolvate

2014 ◽  
Vol 70 (8) ◽  
pp. 780-783 ◽  
Author(s):  
George S. Nyamato ◽  
Stephen O. Ojwach ◽  
Matthew P. Akerman
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Supramolecular Structure ◽  
Density Functional ◽  
State Structure ◽  
Tetrahedral Geometry ◽  
Functional Theory ◽  
Coordination Sites ◽  
Chloride Ligand ◽  
Fourth Coordination

The title compound, [CoCl2(C15H12N2)2]·0.5CH2Cl2, was crystallized from a binary mixture of dichloromethane and hexane and a dimeric supramolecular structure was isolated. The CoIIcentre exhibits a distorted tetrahedral geometry, with two independent pyrazole-based ligands occupying two coordination sites and two chloride ligands occupying the third and fourth coordination sites. The supramolecular structure is supported by complementary hydrogen bonding between the pyrazole NH group and the chloride ligand of an adjacent molecule. This hydrogen-bonding motif yields a ten-membered hydrogen-bonded ring. Density functional theory (DFT) simulations at the PBE/6-311G level of theory were used to probe the solid-state structure. These simulations suggest that the chelate undergoes a degree of conformational distortion from the lowest-energy geometry to allow for optimal hydrogen bonding in the solid state.

Mixed oxidation state compounds of antimony: a 121Sb Mössbauer study of some antimony–fluorine systems

1978 ◽  
Vol 56 (18) ◽  
pp. 2417-2421 ◽  
Author(s):  
Jack G. Ballard ◽  
Thomas Birchall ◽  
Ronald J. Gillespie ◽  
Edward Maharajh ◽  
David Tyrer ◽  
...  
Keyword(s):  
Oxidation State ◽  
Mössbauer Spectra ◽  
Mössbauer Study ◽  
Mossbauer Spectra ◽  
Mixed Oxidation ◽  
Mössbauer Data

Antimony-121 Mössbauer spectra for [Sb2F42+][SbF6−]2 and three compounds containing the [Sb3F14−] ion are reported. The Mössbauer data are discussed in relation to their known structures. Two of the compounds give spectra which, on analysis, give η values of unity.

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