Single- and double-helices of α,α′-dibenzylaminotripyrrin: solution and solid state studies

2021 ◽  
Author(s):  
Kento Ueta ◽  
Masataka Umetani ◽  
Atsuhiro Osuka ◽  
G. Dan Pantoş ◽  
Takayuki Tanaka
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Xrd Analysis ◽  
Double Helices

α,α′-Di(benzylamino)tripyrrin was synthesized, which exhibited an equilibrium between single- and double-helical forms in solution. XRD analysis showed its co-crystal structure including both forms.

Structural, Thermal and Electrical Properties of Doped Poly(3,4 ethylenedioxythiophene)

2016 ◽  
Vol 10 (4) ◽  
pp. 395-400 ◽  
Author(s):  
Deepali Kelkar ◽  
◽  
Ashish Chourasia ◽  
◽  
Keyword(s):  
Crystal Structure ◽  
Electrical Properties ◽  
Xrd Analysis ◽  
Structure Modification ◽  
Camphorsulfonic Acid ◽  
Thermal And Electrical Properties ◽  
Ft Ir

Poly(3,4-ethylenedioxythiophene) (PEDOT) was chemically synthesized, undoped and then re-doped using FeCl3 as well as camphorsulfonic acid (CSA). FT-IR results confirm the nature of the synthesized and doped samples. XRD analysis indicates crystal structure modification after doping and was also used to calculate crystallinity of samples. Crystallinity increases after FeCl3 doping, whereas it reduces due to CSA doping. TGA-DTA results show reduction in Tg value for FeCl3 doped sample while it increases for CSA doped samples compared to that of undoped PEDOT. Reduction in Tg indicates plasticizing effect of FeCl3 whereas increase in Tg show anti-plasticizing effect of CSA in PEDOT. Conductivity value () increases by two orders of magnitude after doping. Log vs. 1/T graph show metallic nature of undoped PEDOT above 308 K, however both doped samples show semiconducting nature from 301 to 383 K.

Ruthenium(II) Complexes Bearing Thioether-Appended α- Iminopyridine Ligands: Arene Precursors Permit Access to K2-N,N and K3-N,N,S Complexes

2019 ◽  
Author(s):  
Victoria A. Ternes ◽  
Hannah A. Morgan ◽  
Austin P. Lanquist ◽  
Michael P. Murray ◽  
Bradley Wile
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Strong Field ◽  
Active Role ◽  
Binding Mode ◽  
Phenethyl Alcohol ◽  
Ru Complexes

Herein we report the preparation of a series of Ru(II) complexes featuring alpha-iminopyridine ligands bearing thioether functionality (NNS<sup>R</sup>, where R = Me, CH<sub>2</sub>Ph, Ph). Metallation using (<i>p</i> cymene)RuCl dimer permits access to (k<sup>2</sup>-N,N)Ru complexes in which the thioether moiety remains uncoordinated. In the presence of a strong field ligand such as acetonitrile or triphenylphosphine, the p-cymene moiety is displaced, and the ligand adopts a k<sup>3</sup>-N,N,S binding mode. These complexes are characterized using a combination of solution and solid state methods, including the crystal structure of [(NNS<sup>Me</sup>)Ru(NCMe)<sub>2</sub>Cl]Cl. The k<sup>2</sup>-N,N Ru(II) complexes are shown to serve as efficient precatalysts for the oxidation of sec-phenethyl alcohol at 5 mol% loadings, using a variety of external oxidants and solvents. The complex bearing an S-Ph donor was found to be the most active of those surveyed, suggesting that the thioether donor plays an active role in catalyst speciation for this transformation.

Crystal structure of tetraoxa[4]peristylane: Novel CH…O mediated architecture in the solid state

1999 ◽  
Vol 40 (12) ◽  
pp. 2417-2420 ◽  
Author(s):  
Goverdhan Mehta ◽  
Ramdas Vidya ◽  
Kailasam Venkatesan
Keyword(s):  
Crystal Structure ◽  
Solid State

scholarly journals Structural Investigations of C-Nitrosobenzenes. Part 3.1 Solid-state and Solution 13C NMR Studies, and Crystal Structure of E-(4-CIC6H4NO)2

1999 ◽  
Vol 23 (3) ◽  
pp. 202-203
Author(s):  
Daniel A. Fletcher ◽  
Brian G. Gowenlock ◽  
Keith G. Orrell ◽  
David C. Apperley ◽  
Michael B. Hursthouse ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
13C Nmr ◽  
Nmr Studies ◽  
Structural Investigations ◽  
Nmr Data ◽  
C Nmr

Solid-state and solution 13C NMR data for the monomers and dimers of 3- and 4-substituted nitrosobenzenes, and the crystal structure of E-(4-CIC6H4NO)2 are reported.

X-ray Crystal Structure of Gallium Tris- (8-hydroxyquinoline):  Intermolecular π−π Stacking Interactions in the Solid State

1999 ◽  
Vol 11 (3) ◽  
pp. 530-532 ◽  
Author(s):  
Yue Wang ◽  
Weixing Zhang ◽  
Yanqin Li ◽  
Ling Ye ◽  
Guangdi Yang
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Stacking Interactions ◽  
X Ray ◽  
Π Stacking

scholarly journals Organotin(IV) selenate derivatives – Crystal structure of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n

2021 ◽  
Vol 44 (1) ◽  
pp. 213-217
Author(s):  
Waly Diallo ◽  
Hélène Cattey ◽  
Laurent Plasseraud
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Point Of View ◽  
Intermolecular Hydrogen Bonds

Abstract Crystallization of [(Ph3Sn)2SeO4] ⋅ 1.5H2O in methanol leads to the formation of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n (1) which constitutes a new specimen of organotin(IV) selenate derivatives. In the solid state, complex 1 is arranged in polymeric zig-zag chains, composed of alternating Ph3Sn and SeO4 groups. In addition, pendant Ph3Sn ⋅ CH3OH moieties are branched along chains according to a syndiotactic organization and via Sn-O-Se connections. From a supramolecular point of view, intermolecular hydrogen bonds established between the selenate groups (uncoordinated oxygen) and the hydroxyl functions (CH3OH) of the pendant groups link the chains together.

Synthesis and crystal structure analyses of tri-substituted guanidine-based copper(II) complexes

2021 ◽  
Vol 76 (3-4) ◽  
pp. 193-199
Author(s):  
Muhammad Said ◽  
Sadia Rehman ◽  
Muhammad Ikram ◽  
Hizbullah Khan ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Molecular Structures ◽  
Hydroxyl Groups ◽  
Synthesis And Crystal Structure ◽  
Pyramidal Geometry ◽  
Tautomeric Forms ◽  
Square Planar ◽  
Nitrogen Donor ◽  
Square Pyramidal Geometry

Abstract Three guanidine-derived tri-substituted ligands viz. N-pivaloyl-N′,N″-bis-(2-methoxyphenyl)guanidine (L1), N-pivaloyl-N′-(2-methoxyphenyl)-N″-phenylguanidine (L2) and N-pivaloyl-N′-(2-methoxyphenyl)-N″-(2-tolyl)guanidine (L3) were reacted with Cu(II) acetate to produce the corresponding complexes. The significance of the substituent on N″ for the resulting molecular structures and their packing in the solid state has been studied with respect to the structural specifics of the corresponding Cu(II) complexes. The key characteristic of the guanidine-based metal complexation with Cu(II) is the formation of an essentially square planar core with an N2O2 donor set. As an exception, in the complex of L1, the substituent’s methoxy moiety also interacts with the Cu(II) center to generate a square-pyramidal geometry. The hydroxyl groups of the imidic acid tautomeric forms of L1–L3, in addition to N″, are also bonded to Cu(II) in all three complexes rather than the nitrogen donor of the guanidine motif.

Zum Mineral Johillerit verwandte Oxovanadate RbCd4V3O12 und TlCd4V3O12 / Oxovanadates RbCd4V3O12 and TlCd4V3 O12 Related to the Mineral Johillerite

1997 ◽  
Vol 52 (5) ◽  
pp. 663-668 ◽  
Author(s):  
B. Mertens ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Solid State Reactions ◽  
Space Group ◽  
Related Compounds

Abstract Single crystals of I RbCd4V3O12 and TlCd4V3O12 II have been prepared by solid state reactions in closed iron tubes. The compounds crystallize closely related to the Johillerite structure in the space group C62h- C2/c with I: a = 13.058(3); b - 13.528(3), c = 7 .0 6 0 (2 )Å , β = 114.88(2)°; II: a = 12.999(6), b = 13.527(7), c = 7.055(3) Å , β = 114.88(4)°, Z = 4. Special features are the loss of Cu2+ in order to gain an additional Cd2+ position. The crystal structure is discussed with respect to related compounds of the Johillerite type.

scholarly journals Oligosilanylated Silocanes

Molecules ◽  
2021 ◽  
Vol 26 (1) ◽  
pp. 244
Author(s):  
Mohammad Aghazadeh Meshgi ◽  
Alexander Pöcheim ◽  
Judith Baumgartner ◽  
Viatcheslav V. Jouikov ◽  
Christoph Marschner
Keyword(s):  
Cyclic Voltammetry ◽  
Solid State ◽  
Xrd Analysis ◽  
29Si Nmr ◽  
Single Crystal Xrd ◽  
Substitution Pattern ◽  
Silyl Group ◽  
Steric Factors ◽  
Single Crystal Xrd Analysis ◽  
29Si Nmr Spectroscopy

A number of mono- and dioligosilanylated silocanes were prepared. Compounds included silocanes with 1-methyl-1-tris(trimethylsilyl)silyl, 1,1-bis[tris(trimethylsilyl)silyl], and 1,1-bis[tris(trimethylsilyl)germyl] substitution pattern as well as two examples where the silocane silicon atom is part of a cyclosilane or oxacyclosilane ring. The mono-tris(trimethylsilyl)silylated compound could be converted to the respective silocanylbis(trimethylsilyl)silanides by reaction with KOtBu and in similar reactions the cyclosilanes were transformed to oligosilane-1,3-diides. However, the reaction of the 1,1-bis[tris(trimethylsilyl)silylated] silocane with two equivalents of KOtBu leads to the replacement of one tris(trimethylsilyl)silyl unit with a tert-butoxy substituent followed by silanide formation via KOtBu attack at one of the SiMe3 units of remaining tris(trimethylsilyl)silyl group. For none of the silylated silocanes, signs of hypercoordinative interaction between the nitrogen and silicon silocane atoms were detected either in the solid state. by single crystal XRD analysis, nor in solution by 29Si-NMR spectroscopy. This was further confirmed by cyclic voltammetry and a DFT study, which demonstrated that the N-Si distance in silocanes is not only dependent on the energy of a potential N-Si interaction, but also on steric factors and through-space interactions of the neighboring groups at Si and N, imposing the orientation of the pz(N) orbital relative to the N-Si-X axis.

A MOF based on a lead(II) 2-oxido-6-methylpyridine-4-carboxylate network

2020 ◽  
Vol 75 (4) ◽  
pp. 365-369
Author(s):  
Long Tang ◽  
Yu Pei Fu ◽  
Na Cui ◽  
Ji Jiang Wang ◽  
Xiang Yang Hou ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Carboxylic Acid ◽  
Thermogravimetric Analysis ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Connected Node ◽  
Metal Organic ◽  
Solid State Fluorescence

AbstractA new metal-organic framework, [Pb(hmpcaH)2]n (1), has been hydrothermally synthesized from Pb(OAc)2 · 3H2O and 2-hydroxy-6-methylpyridine-4-carboxylic acid (hmpcaH2; 2), and characterized by IR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction. In complex 1, each hmpcaH− ligand represents a three-connected node to combine with the hexacoordinated Pb(II) ions, generating a 3D binodal (3,6)-connected ant network. The crystal structure of 2 was determined. The solid-state fluorescence properties of 1 and 2 were investigated.

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