scholarly journals Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes

Inorganics ◽  
2021 ◽  
Vol 9 (9) ◽  
pp. 69
Author(s):  
Yulia N. Toikka ◽  
Dar’ya V. Spiridonova ◽  
Alexander S. Novikov ◽  
Nadezhda A. Bokach
Keyword(s):  
Single Crystal ◽  
Gas Phase ◽  
Computational Study ◽  
Model Structure ◽  
Single Bond ◽  
X Ray Diffraction ◽  
X Ray ◽  
Total Energies ◽  
Coordination Bonds ◽  
Bond Character

The reaction in the system CuII/sacNa(H)/NCNR2 (sacNa(H) = sodium saccharinate (saccharin); R = Me, Et) results in the formation of the complexes [Cu(sac)2(NCNR2)(H2O)2] (R = Me 1, Et 2) instead of the expected products derived from the saccharin–cyanamide coupling. Complexes 1, 2, and hydrate 1·2H2O were characterized by IR, AAS (Cu%), TGA, and also by single-crystal X-ray diffraction for 1 and 1·2H2O. An integrated computational study of model structure 1 in the gas phase demonstrates that the Cu–Ncyanamide and Cu–Nsac coordination bonds exhibited a single bond character, polarized toward the N atom and almost purely electrostatic, with the calculated vertical total energies for the Cu–Ncyanamide and Cu–Nsac of 43.6 and 156.4 kcal/mol, respectively. These data confirmed that the copper(II) completely blocks the nucleophilic centers of ligands via coordination, thus preventing the saccharin–cyanamide coupling.

scholarly journals Ca4As3– a new binary calcium arsenide

2015 ◽  
Vol 71 (12) ◽  
pp. 1548-1550
Author(s):  
Andrea V. Hoffmann ◽  
Viktor Hlukhyy ◽  
Thomas F. Fässler
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
Binary Compound ◽  
Unit Cell ◽  
Single Bond ◽  
X Ray Diffraction ◽  
Zintl Phase ◽  
X Ray

The crystal structure of the binary compound tetracalcium triarsenide, Ca4As3, was investigated by single-crystal X-ray diffraction. Ca4As3crystallizes in the Ba4P3structure type and is thus a homologue of isotypic Sr4As3. The unit cell contains 32 Ca2+cations, 16 As3−isolated anions and four centrosymmetric [As2]4–dumbbells. The As atoms in each of the dumbbells are connected by a single bond, thus this calcium arsenide is a Zintl phase.

Synthese und Struktur- und Konformationsanalyse von Triphenylphosphonium-bis(diphenylarsino)methylid

1984 ◽  
Vol 39 (11) ◽  
pp. 1456-1462 ◽  
Author(s):  
Hubert Schmidbaur ◽  
Peter Nußstein ◽  
Gerhard Müller
Keyword(s):  
Single Crystal ◽  
Spectroscopic Data ◽  
Heavy Atom ◽  
Lone Pair ◽  
Molar Ratio ◽  
Single Bond ◽  
X Ray Diffraction ◽  
Trans Conformation ◽  
X Ray ◽  
Lone Pairs

Abstract Triphenylphosphonium -diphenylarsinomethylide (1) and -bis-(diphenylarsino)methylide (2) are easily available through transylidation processes using Ph3P = CH2 and Ph2AsCl as the starting materials in the appropriate molar ratio. Analytical and spectroscopic data are presented for both ylides. The structure of 2 was studied in detail by single-crystal X-ray diffraction. The basic PCAs2 skeleton is found to deviate strongly from planarity. The Ph2As-substituents adopt a cis/trans conformation relative to the ylidic P = C bond with the directions of the lone pairs of electrons at the arsenic atoms in the heavy atom plane as expected for a maximum compensation of the electrostatic vectors. For 1, a cis-conformation of the lone pair of electrons and a large PCAs angle are predicted on the basis of NMR analogies with the phosphorus homologues. Single bond rotational barriers appear to be much lower for 1 and 2, however, than for the corresponding phosphino-substituted ylides.

Preparation and Structure of Cyclic Gallium(III) and Gallium(II) 2-Amino-ethyl-amides

2001 ◽  
Vol 56 (6) ◽  
pp. 458-462 ◽  
Author(s):  
Eva S. Schmidt ◽  
Annette Schier ◽  
Norbert W. Mitzel ◽  
Hubert Schmidbaur
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Single Bond ◽  
X Ray Diffraction ◽  
Butyl Lithium ◽  
X Ray ◽  
Gallium Chloride ◽  
Molar Ratios

AbstractThe reaction of N,N′-di(tbutyl)-ethane- 1,2-diamine with NaH followed by anhydrous GaCl3 (molar ratios 1:2 :1) gives mainly an insoluble bis(diamido)gallium chloride together with a low yield (28%) of a soluble monocyclic dichlorogallium-[2-(tbutylamino)-ethyl-(tbutyl)amide], Cl2Ga(tBuNH-CH2CH2-NtBu) 1, the structure of which has been determined. Metallation of the same diamine with tbutyl-lithium and GaCl3 (1:2:1) gave small quantities of the corresponding dinuclear, bicyclic gallium(II) compound 2, [(tBuNH-CH2CH2-NtBu)GaCl]2 with a Ga-Ga single bond connecting the two units, as again shown by a single crystal X-ray diffraction analysis.

The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases

2015 ◽  
Vol 17 (24) ◽  
pp. 15805-15812 ◽  
Author(s):  
Y. Berrueta Martínez ◽  
L. S. Rodríguez Pirani ◽  
M. F. Erben ◽  
C. G. Reuter ◽  
Y. V. Vishnevskiy ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Low Temperature ◽  
Single Crystal ◽  
Gas Phase ◽  
Solid Phase ◽  
Gas Electron Diffraction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conformational Properties

The structural and conformational properties of chloromethyl thiocyanate, CH2ClSCN, were studied in the solid phase and in the gas phase usingin situlow-temperature single-crystal X-ray diffraction experiments (XRD) and gas electron diffraction (GED), respectively.

Molecular Topology of Di(9-Anthryl)Ethanedione (9,9'-Anthril) and Some Generically Related Cyclic 1,2-Diketones

1991 ◽  
Vol 44 (2) ◽  
pp. 181 ◽  
Author(s):  
HD Becker ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Dihedral Angle ◽  
Molecular Structures ◽  
Dihedral Angles ◽  
Molecular Topology ◽  
Single Bond ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intramolecular Cycloadditions ◽  
Crystal Modifications

The molecular structures of di (9-anthryl) ethanedione (9,9′-anthril) and those of four 1,2-diketones derived from 9,9′-anthril by way of intramolecular cycloadditions were investigated by single-crystal X-ray diffraction studies. Two crystal modifications of 9,9′-anthril were available and found to differ in the dihedral angles (43.9 and 178.3°) about the 1,2-dicarbonyl moiety. The 1,2-dicarbonyl group of the cyclobutanedione moiety in the anthril 4π+4π cyclomer is associated with a dihedral angle of 2.6°. In the anthril isomer derived by 4π+2π cycloaddition, an exceptionally long single bond is indicative of molecular strain. The molecular structures of a keto enol and of a novel 1,2-diketo substituted triptycene, both obtained from the 4π+2π cyclomer by acid-catalysed rearrangement and dehydrogenation, respectively, were established. The topological and spectroscopic differences between the keto en01 and its 1,2-diketo precursor are discussed.

Electron Microscopy of Shock Loaded Polycrystalline Beryllium

1974 ◽  
Vol 32 ◽  
pp. 506-507 ◽  
Author(s):  
J. M. Galbraith ◽  
L. E. Murr ◽  
A. L. Stevens
Keyword(s):  
Electron Microscopy ◽  
Wave Propagation ◽  
Structural Change ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Shock Loading ◽  
Slip Systems ◽  
Compression Tests ◽  
X Ray Diffraction ◽  
X Ray

Uniaxial compression tests and hydrostatic tests at pressures up to 27 kbars have been performed to determine operating slip systems in single crystal and polycrystal1ine beryllium. A recent study has been made of wave propagation in single crystal beryllium by shock loading to selectively activate various slip systems, and this has been followed by a study of wave propagation and spallation in textured, polycrystal1ine beryllium. An alteration in the X-ray diffraction pattern has been noted after shock loading, but this alteration has not yet been correlated with any structural change occurring during shock loading of polycrystal1ine beryllium.This study is being conducted in an effort to characterize the effects of shock loading on textured, polycrystal1ine beryllium. Samples were fabricated from a billet of Kawecki-Berylco hot pressed HP-10 beryllium.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

Sign in / Sign up

Export Citation Format

Share Document