Month: April 2022

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called HMO [Hueckel molecular orbital] calculation and the reactivity of quinolinecarbonitriles and isoquinolinecarbonitriles with nucleophilic reagents, published in 1971, which mentions a compound: 1195-58-0, Name is Pyridine-3,5-dicarbonitrile, Molecular C7H3N3, Name: Pyridine-3,5-dicarbonitrile.

Simple Hueckel MO calculations were carried out to explain the fact that the Grignard reagents attack the CN group of 2- and 4-quinolinecarbonitriles and 1- and 3-isoquinolinecarbonitriles, whereas the ring is attacked in the case of 3-quinolinecarbonitrile and 4-isoquinolinecarbonitrile. These facts could be explained by the reactivity indexes obtained with the following parameters: α + 0.5β for the Coulomg integral of N in the ring, α + 1.1β for the Coulomb integral of N of the cyano group, and 1.4β for resonance integral of the cyano group. The νCN absorption could be correlated with the π-bond order of the cyano group and the chem. shifts of H with the π-electron density (qr) by the equation: δ = 19.64 – 12.20qr. 1-Propionylisoquinoline, b5 125°, was prepared

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Dichloro(1,5-cyclooctadiene)platinum(II)(SMILESS: C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-],cas:12080-32-9) is researched.Category: alcohols-buliding-blocks. The article 《Spectroscopic, structural and DFT studies of luminescent Pt(II) and Ag(I) complexes with an asymmetric 2,2′-bipyridine chelating ligand》 in relation to this compound, is published in Journal of Molecular Structure. Let’s take a look at the latest research on this compound (cas:12080-32-9).

A new unsym. substituted 2,2′-bipyridine ligand, 5-methyl-5′-carbomethoxy-2,2′-bipyridine (L) was isolated from the dry distillation of the copper(II) complex, mono-aqua-bis(trans-5-methyl-pyridine-2-carboxylato-N,O)copper(II). The ligand was fully characterized. The spectroscopic and single-crystal x-ray diffraction (SCXRD) studies of the coordination compounds of the ligand with platinum(II) and silver(I); cis-Pt(L)Cl2 (1) and [Ag(L)2]PF6 (2), resp. are reported. In 1, the Pt center coordinates to tertiary N atoms of the ligand and two chloride ions to form a neutral square-planar coordination sphere, while in 2, the Ag(I) center is coordinated by two ligands through N atoms to generate a cationic flattened tetrahedron geometry in which two mean planes intersect each other at 50.93°. The pyridine rings are nearly coplanar as revealed by the torsion angle of N2-C7-C6-N1 1.32(5)°. In both complexes, L acts as a chelating ligand through pyridyl N atoms. In 1, the mol. units are stacked in a head-to-tail fashion with a Pt···Pt separation of 3.5 Å. Supramol. self-assembly of the mol. units by extensive intermol. contacts through C-H···Cl and C-H···O between the adjacent units results in an infinite two-dimensional flattened-out herringbone structure in the crystalline state. In 2, the mol. units are interconnected with each other by C-H···O contacts between the adjacent units running parallel to each other. Both complexes are fluorescent in solution and have emission maxima in the UV-Vis regions, which is a very important property for optoelectronic applications. DFT (d. functional theory) and TD-DFT (time-dependent-DFT) calculations were performed at B3LYP/6-311+G(d,p)/LANL2DZ level to explore structural, electronic, and spectroscopic properties to compare with the exptl. results. The MOs were carried out with DFT at the same level.

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Category: alcohols-buliding-blocks. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about A sterically congested 1,2-diphosphino-1′-boryl-ferrocene: synthesis, characterization and coordination to platinum. Author is Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Helene; Fleurat-Lessard, Paul; Boudjelel, Maxime; Massou, Stephane; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille.

A new class of tritopic ferrocene-based ambiphilic compounds has been prepared by assembling diphosphino- and boryl-substituted cyclopentadienides at iron. The presence of five sterically demanding substituents on the ferrocene platform induces conformational constraints, as is apparent from XRD and NMR data, but does not prevent the chelating coordination to platinum. The Lewis acid moiety is pendant in both the free ligand and the platinum complex.

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Ball, Melissa; Zhang, Boyuan; Zhong, Yu; Fowler, Brandon; Xiao, Shengxiong; Ng, Fay; Steigerwald, Michael; Nuckolls, Colin published an article about the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9,SMILESS:C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-] ).Name: Dichloro(1,5-cyclooctadiene)platinum(II). Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:12080-32-9) through the article.

This Account describes a body of research on the design, synthesis, and application of a new class of electronic materials made from conjugated macrocycles. Our macrocyclic design takes into consideration the useful attributes of fullerenes and what properties make fullerenes efficient n-type materials. We identified four electronic and structural elements: (1) a three-dimensional shape; (2) a conjugated and delocalized π-space; (3) the presence of an interior and exterior to the π-surface; and (4) low-energy unoccupied MOs allowing them to accept electrons. The macrocyclic design incorporates some of these properties, including a three-dimensional shape, an interior/exterior to the π-surface, and low-lying LUMOs maintaining the n-type semiconducting behavior, yet we also install synthetic flexibility in our approach in order to tune the properties further. Each of the macrocycles comprises perylenediimide cores wound together with linkers. The perylenediimide building block endows each macrocycle with the ability to accept electrons, while the synthetic flexibility to install different linkers allows us to create macrocycles with different electronic properties and sizes. We have created three macrocycles that all absorb well into the visible range of the solar spectrum and possess different shapes and sizes. We then use these materials in an array of applications that take advantage of their ability to function as n-type semiconductors, absorb in the visible range of the solar spectrum, and possess intramol. cavities. This Account will discuss our progress in incorporating these new macrocycles in organic solar cells, organic photodetectors, organic field effect transistors, and sensors. The macrocycles outperform acyclic controls in organic solar cells. We find the more rigid macrocyclic structure results in less intrinsic charges and lower dark current in organic photodetectors. Our macrocyclic-based photodetector has the highest detectivity of non-fullerene acceptors. The macrocycles also function as sensors and are able to recognize nuanced differences in analytes. Perylenediimide-based fused oligomers are efficient materials in both organic solar cells and field effect transistors. We will use the oligomers to construct macrocycles for use in solar energy conversion. In addition, we will incorporate different electron-rich linkers in our cycles in an attempt to engineer the HOMO/LUMO gap further. Looking further into the future, we envision opportunities in applying these conjugated macrocycles as electronic host/guest materials, as concatenated electronic materials by threading the macrocycles with electroactive oligomers, and as a locus for catalysis that is driven by light and elec. fields.

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 7661-33-8, is researched, SMILESS is O=C1N(C2=CC=C(Cl)C=C2)CCC1, Molecular C10H10ClNOJournal, Suomen Kemistilehti B called Dipole moments of substituted 1-phenyl-2-pyrrolidones, Author is Virtanen, P. Olavi I.; Ruostesuo, Pirkko; Ruostesuo, Pirkko, the main research direction is dipole moment phenylpyrrolidones; phenylpyrrolidones dipole moment; pyrrolidones phenyl dipole moment; methylphenylpyrrolidones dipole moment; chlorophenylpyrrolidones dipole moment; methoxyphenylpyrrolidones dipole moment.Name: 1-(4-Chlorophenyl)pyrrolidin-2-one.

The dipole moments of 1-phenyl-2-pyrrolidone and its 2′-methyl, 3′-methyl, 4′-methyl, 2′-chloro, 3′-chloro, 4′-chloro, 2′-methoxy, 3′-methoxy, and 4′-methoxy derivatives were measured in dioxane at 30° and the dipole moments of the 1st 4 compounds also in cyclohexane at 30°. The dipole moments were larger in dioxane than in cyclohexane. The dipole moments of all the compounds except 1-(3-methoxyphenyl)-2-pyrrolidone and 1-(4-methoxyphenyl)-2-pyrrolidone agree with the values calculated by applying Eyring’s treatment and assuming free rotation of the pyrrolidonyl group about the bond joining it to the aromatic ring.

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Product Details of 1195-58-0. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Organosilicon compounds. XX. Synthesis of aromatic diamines via trimethylsilyl-protecting aniline intermediates. Author is Pratt, J. Richard; Massey, W. Dale; Pinkerton, Frank H.; Thames, Shelby F..

A synthetic approach utilizing a Me3Si protecting group was used to produce Si and diketo containing diamines. Thus, the halogen-metal interchange of N,N-bis(trimethylsilyl)bromoanilines with BuLi in ether produced Li derivatives, which were treated with dichloro silanes or dinitriles to afford the N,N-bis(trimethylsilyl)silicon containing dianilines or the corresponding lithioimines, resp. Hydrolysis removed the trimethylsilyl protecting groups and converted the lithioimines to the carbonyl compounds to afford the free diamines.

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SDS of cas: 7661-33-8. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Cyclization of N-arylcyclopropanecarboxamides into N-arylpyrrolidinones-2 under electron ionization and in the condensed phase. Author is Lebedev, A. T.; Mazur, D. M.; Kudelin, A. I.; Fedotov, A. N.; Gloriozov, I. P.; Ustynyuk, Yu. A.; Artaev, V. B..

Mass spectrometry is known as an excellent method to predict the behavior of organic compounds in solution The behavior of organic compounds in the gas-phase inside an ion source of a mass spectrometer allows their intrinsic properties to be defined, avoiding the influence of intermol. interactions, counter ions and solvent effects. Arylpyrrolidinones-2 were obtained by condensed phase synthesis from the corresponding N-arylcyclopropanecarboxamides. Electron ionization (EI) with accurate mass measurements by high-resolution time-of-flight mass-spectrometry and quantum chem. calculations were used to understand the behavior of the mol. radical cations of N-arylcyclopropanecarboxamides and N-arylpyrrolidinones-2 in the ion source of a mass spectrometer. The geometries of the mols., transition states, and intermediates were fully optimized using DFT-PBE calculations Fragmentation schemes, ion structures, and possible mechanisms of primary isomerization were proposed for isomeric N-arylcyclopropanecarboxamides and N-arylpyrrolidinones-2. Based on the fragmentation pattern of the N-arylcyclopropanecarboxamides, isomerization of the original M+· ions into the M+· ions of the N-arylpyrrolidinones-2 was shown to be only a minor process. On the contrary, this cyclization proceeds easily in the condensed phase in the presence of the Bronsted acids. Based on the exptl. data and quantum chem. calculations the principal mechanism of decomposition of the mol. ions of N-arylcyclopropanecarboxamides involves their direct fragmentation without any rearrangements. An alternative mechanism is responsible for the isomerization of a small portion of the higher energy mol. ions into the corresponding N-arylpyrrolidinones-2 ions.

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 12080-32-9, is researched, SMILESS is C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-], Molecular C8H12Cl2PtJournal, Article, Angewandte Chemie, International Edition called [n]-Cyclo-9,9-dibutyl-2,7-fluorene (n=4, 5): Nanoring Size Influence in Carbon-Bridged Cyclo-para-phenylenes, Author is Sicard, Lambert; Lucas, Fabien; Jeannin, Olivier; Bouit, Pierre-Antoine; Rault-Berthelot, Joelle; Quinton, Cassandre; Poriel, Cyril, the main research direction is cyclodibutylfluorene cycloparaphenylene crystal structure refractive index UV fluorescence spectra; cyclofluorene; nanorings; ring bridging; ring size effect.Formula: C8H12Cl2Pt.

For the last ten years, ring-shaped π-conjugated macrocycles possessing radially directed π-orbitals have been subject to intense research. The electronic properties of these rings are deeply dependent on their size. However, most studies involve the flagship family of nanorings: the cyclo-para-phenylenes. We report herein the synthesis and study of the first examples of cyclofluorenes possessing five constituting fluorene units. The structural, optical and electrochem. properties were elucidated by X-ray crystallog., UV-vis absorption and fluorescence spectroscopy, and cyclic voltammetry. By comparison with a shorter analog, we show how the electronic properties of [5]-cyclofluorenes are drastically different from those of [4]-cyclofluorenes, highlighting the key role played by the ring size in the cyclofluorene family.

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Yuan, Ming; Zhu, Wenxian; Lv, Jiaxing; Zhang, Panpan; Tang, Huadong published an article about the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9,SMILESS:C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-] ).Product Details of 12080-32-9. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:12080-32-9) through the article.

In this work, a series of hydrosilanes including phenylsilane, diphenylsilane, triethylsilane (TES), and tris(trimethylsilyl)silane combined with catalytical amount of platinum complex such as dichloro(1,5-cyclooctadiene)platinum (COD) and dichloro(dicyclopentadienyl)platinum have been used to initiate the polymerization of vinyl acetate (VAc) at 70-95°C. An ultrahigh mol. weight PVAc with number-average mol. weight (Mn) up to 1.17 X 106 Da and polydispersity index (PDI) of 2.59 has been synthesized using TES as an initiator in the presence of 9.7 ppm of COD. A kinetic study indicates that the polymerization at VAc/TES/COD molar ratio = 3.0 X 105 : 60 : 1 smoothly reached 81.0% conversion in 28.0 h at 85°C, producing PVAc with Mn increasing linearly from 1.41 X 105 to 6.01 X 105 Da with the increase of monomer conversion. A mechanistic investigation revealed that COD was firstly reduced by reductive TES, producing Pt nanoparticles and corresponding silane radicals to initiate the polymerization of VAc.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Dichloro(1,5-cyclooctadiene)platinum(II)(SMILESS: C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-],cas:12080-32-9) is researched.Computed Properties of C3H3ClN2O2S. The article 《Synthesis and catalytic performance of highly dispersed platinum nanoparticles supported on alumina via supercritical fluid deposition》 in relation to this compound, is published in Journal of Supercritical Fluids. Let’s take a look at the latest research on this compound (cas:12080-32-9).

Highly dispersed platinum nanoparticles (NPs) supported on alumina were prepared by supercritical fluid deposition (SFD) with the aid of co-solvent ethanol using inorganometallic Na2PtCl6·6H2O as Pt precursor. The mean Pt particle size (1.5 nm) was obtained at the optimized deposition conditions of 40°C and 110 bar and 3 h of deposition time. The catalysts were characterized by high-resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD), CO diffuse reflectance IR Fourier transform spectroscopy (CO-DRIFTS), XPS, inductively coupled plasma optical emission spectrometry (ICP-OES) and hydrogen-oxygen titrations to investigate the structure-activity relationship. Compared with the catalyst prepared via an impregnation method, the Pt was highly dispersed to smaller particles for Pt/Al2O3 catalysts prepared by SFD and showed much higher catalytic activity of catalytic reforming of cyclohexane dehydrogenation.

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