Month: November 2022

Bezzubov, Stanislav I. published the artcileTuning the photophysical and electrochemical properties of iridium(III) 2-aryl-1-phenylbenzimidazole complexes, Computed Properties of 2622-67-5, the publication is Inorganica Chimica Acta (2014), 22-30, database is CAplus.

Heteroleptic bis-cyclometalated Ir(III) complexes, [Ir(cpbi)₂(H₂dcbpy)][PF₆] (1), [Ir(pbi)₂(H₂dcbpy)][PF₆] (2), and [Ir(mpbi)₂(H₂dcbpy)][PF₆] (3), where pbi = 1,2-diphenylbenzimidazole, cpbi = 2-(4-chlorophenyl)-1-phenylbenzimidazole, mpbi = 2-(3,4-dimethoxyphenyl)-1-phenylbenzimidazole, and H₂dcbpy = 2,2′-bipyridine-4,4′-dicarboxylic acid were synthesized and characterized by elemental anal., ¹H, ³¹P NMR, and high resolution mass-spectra. The mol. structure of complex 3 was determined from single-crystal x-ray anal. The complexes exhibit absorption up to 550 nm with molar absorptivities of 2500 M^-1 cm^-1. They have strong luminescence in broad yellow-to-red region in solutions at room temperature While chloro-substituent (complex 1) causes a little hypsochromic shift of the absorption maxima compared to unsubstituted 2, introduction of two methoxy-groups (complex 3) gives rise to a bathochromic shift of âˆ?00 nm. A.C. voltammetry studies of the complexes indicates reversible oxidation and reduction potentials. Calculated excited state oxidation potentials for 1–3 are neg. enough to efficiently inject electrons into the conduction band of TiO₂ (E_F â‰?-0.5 V). Thus, from the electrochem. point of view, all the complexes, especially 3, are good candidates for operation in DSSC as dyes.

Inorganica Chimica Acta published new progress about 2622-67-5. 2622-67-5 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Benzene,Benzimidazole, name is 1,2-Diphenyl-1H-benzo[d]imidazole, and the molecular formula is C19H14N2, Computed Properties of 2622-67-5.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Yue, Kun published the artcileComparison between Ab Initio Molecular Dynamics and OPLS-Based Force Fields for Ionic Liquid Solvent Organization, Computed Properties of 79917-90-1, the publication is Journal of Physical Chemistry B (2022), 126(21), 3908-3919, database is CAplus and MEDLINE.

OPLS-based force fields (FFs) have been shown to provide accurate bulk-phase properties for a wide variety of imidazolium-based ionic liquids (ILs). However, the ability of OPLS to reproduce an IL solvent structure is not as well-validated given the relative lack of high-level theor. or exptl. data available for comparison. In this study, ab initio mol. dynamics (AIMD) simulations were performed for three widely used ILs: the 1-butyl-3-methylimidazolium cation with chloride, tetrafluoroborate, or hexafluorophosphate anions, i.e., [BMIM][Cl], [BMIM][BF₄], and [BMIM][PF₆], resp., as a basis for further assessment of two unique IL FFs: the ±0.8 charge-scaled OPLS-2009IL FF and the OPLS-VSIL FF. The OPLS-2009IL FF employs a traditional all-atom functional form, whereas the OPLS-VSIL FF was developed using a virtual site that offloads neg. charge to inside the plane of the ring with careful attention given to reproducing hydrogen bonding. Detailed comparisons between AIMD and the OPLS FFs were made based on radial distribution functions (RDFs), combined distribution functions (CDFs), and spatial distribution functions (SDFs) to examine cation-anion interactions and π⁺-π⁺ stacking between the imidazolium rings. While both FFs were able to correctly capture the general solvent structure of these popular ILs, the OPLS-VSIL FF quant. reproduced interaction distances more accurately. In addition, this work provides further insights into the different short- and long-range structure patterns of these popular ILs.

Journal of Physical Chemistry B published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C26H26N4O7, Computed Properties of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Sinha, Hemant K. published the artcileAcidity constants of 2-(hydroxymethyl)benzimidazole, Formula: C9H10N2O, the publication is Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical (1986), 25A(12), 1092-6, database is CAplus.

The effects of solvents and pH on the spectral characteristics of 2-(hydroxymethyl)benzimidazole indicate that methylene group in between hydroxy and benzimidazole ring interferes in their direct interaction and thus each chromophore behaves independently. PH studies on 2-(hydroxymethyl)-1-methylbenzimidazole as well as on the compound devoid of 1-Me substituent demonstrate that the monoanion is formed by the deprotonation of imino group rather than the hydroxy group. Proton-induced fluorescence quenching of monocation is observed in moderate solutions

Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C65H82N2O18S2, Formula: C9H10N2O.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Heller, William T. published the artcileImpact of Two Water-Miscible Ionic Liquids on the Temperature-Dependent Self-Assembly of the (EO)₆-(PO)₃₄-(EO)₆ Block Copolymer, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is ACS Omega (2022), 7(23), 19474-19483, database is CAplus and MEDLINE.

There are many studies on the self-assembly of triblock poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) copolymers in aqueous solution These polymers display a rich phase diagram as a function of block length, concentration, temperature, and additives. Here, we present a small-angle neutron scattering study of the impact of two water-miscible ionic liquids, 1-butyl-3-methylimidazolium chloride ([C₄C₁mim][Cl]) and 1-butyl-3-methylpyrrolidinium chloride ([C₄C₁pyrr][Cl]), on the temperature-dependent self-assembly of (EO)₆-(PO)₃₄-(EO)₆, also known as L62 Pluronic, in aqueous solution Both ionic liquids depress the temperatures of the various structural transitions that take place, but ([C₄C₁pyrr][Cl]) has a stronger effect. The structures that the triblock copolymer self-assembles into do not dramatically change nor do they significantly change the series of structures that the system transitions through as a function of temperature relative to the various transition temperatures

ACS Omega published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Xu, Cheng published the artcileSynthesis and characterization of fungicide cyazofamid, HPLC of Formula: 120118-14-1, the publication is Yingyong Huagong (2009), 38(7), 1076-1077, 1083, database is CAplus.

Cyazofamid was prepared with 4-methylacetophenone as starting material by bromization, cyclization, dehydration-chlorination and sulfonicate. The content of cyazofamid was 93.5%, and the total yield was over 35%.

Yingyong Huagong published new progress about 120118-14-1. 120118-14-1 belongs to imidazoles-derivatives, auxiliary class Imidazole,Chloride,Nitrile,Benzene, name is 4-Chloro-5-(p-tolyl)-1H-imidazole-2-carbonitrile, and the molecular formula is C8H6BrClO, HPLC of Formula: 120118-14-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Yu, Ke published the artcileIonic liquids screening for lignin dissolution: COSMO-RS simulations and experimental characterization, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is Journal of Molecular Liquids (2022), 118007, database is CAplus.

As the second most abundant terrestrial polymer, lignin has emerged as a major sustainable source for the production of fuels, chems., and materials. However, efficient screening of solvents for lignin dissolving faces great challenges. In this work, COSMO-RS was used to screen 3886 ionic liquids (ILs) composed of 58 cations and 67 anions, to find out the most effective ones for lignin dissolving by considering the critical items of logarithmic infinite dilution activity coefficient (lnγ^{âˆ?/sup>) and σ-profiles. The substantial improvement of lignin dissolution was achieved in [PMpyrr][OAc] IL by both simulations and experiments validations. Moreover, it was found that the anions dominate the dissolution process and the strongly polar anions exhibit better dissolution ability. Furthermore, the underlying mechanism originated from the hydrogen bond (H-bond) between ILs and lignin was also revealed and systemically analyzed from donor and acceptor ability, indicating that high lignin solubility is reached in the ILs with stronger ability to form H-bond acceptors. This work leads to possible ways toward developing more selective and efficient lignin dissolution methods based on solvent properties.}

Journal of Molecular Liquids published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C7H9BO3, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Huang, Liurong published the artcileStructural and functional properties of collagen from tilapia scales pretreated by heat-assisted ionic liquids, Quality Control of 79917-90-1, the publication is Journal of Applied Polymer Science (2022), 139(14), 51903, database is CAplus.

This paper explores the structural and functional properties of collagen from tilapia scales pretreated by heat-assisted ionic liquids (ILs). Results show that the solubility of collagen was significantly influenced by the type and concentration of ILs. With the increase of IL concentration, a remarkable decrease in solubility of collagen was seen. Fluorescence spectra show that heat and IL pretreatments induced the exposure of chromophores. Changes in sodium dodecyl sulfate-polyacrylamide gel electrophoresis indicated that subunits of collagen regenerated from most of the IL solvent systems were not destroyed. The functional properties of regenerated collagen were evaluated by gel strength, viscosity, water-binding capacity, and emulsifying capacity. Results show that all heat-assisted ILs pretreatments improved the gel strength and viscosity, and the highest gel strength and viscosity were both obtained in the collagen pretreated by heat-assisted [EMIM]Cl. Heat-assisted [BMIM]BF₄ pretreatment exhibited the lowest water-binding capacity. Heat-assisted [BDMIM]Cl pretreatment indicated superior effect on improving emulsifying capacity than other pretreatments due to its ability to break most of the hydrogen bonds in collagen mols., resulting in the formation of new re-aggregates with higher solubility and more hydrophobic groups.

Journal of Applied Polymer Science published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Quality Control of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Cao, Hong-Tao published the artcileA sulfur-free iridium(III) complex for highly selective and multi-signaling mercury(II)-chemosensors, COA of Formula: C19H14N2, the publication is Dalton Transactions (2015), 44(46), 19997-20003, database is CAplus and MEDLINE.

A sulfur-free iridium(III) complex (pbi)₂Ir(mtpy) (1) was successfully prepared and adopted as a Hg(II)-chemosensor with high selectivity and sensitivity. Multi-signaling responses towards Hg(II) ions were observed by UV-vis absorption, phosphorescence and electrochem. measurements. With addition of Hg(II) ions, complex 1 presented quenched emission in its phosphorescence spectrum and the detection limit was as low as 2.5 × 10^-7 M. Addnl., its redox peak currents showed a broad linear relationship with the concentration of Hg(II) ions ranging from 0 to 500 μM, which was beneficial for the quant. detection. Based on the ¹H NMR and ESI-MS analyses, the probing mechanism was tentatively supposed to be the Hg²⁺-induced changes in the local environment of complex 1. Such a response process was useful for achieving simple and effective detection of Hg(II) ions as well as developing more chemosensors.

Dalton Transactions published new progress about 2622-67-5. 2622-67-5 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Benzene,Benzimidazole, name is 1,2-Diphenyl-1H-benzo[d]imidazole, and the molecular formula is C19H14N2, COA of Formula: C19H14N2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Li, Hui published the artcileSynthesis, characterization and electrophosphorescent properties of mononuclear platinum(II) complexes based on 2-phenylbenzoimidazole derivatives, Computed Properties of 2622-67-5, the publication is Journal of Organometallic Chemistry (2009), 694(17), 2777-2785, database is CAplus.

The rational design, synthesis and characterization of five phosphorescent Pt complexes [(CÑ)Pt(acac)] [Hacac = acetylacetone, HCÑ = 1-methyl-2-(4-fluorophenyl)benzoimidazole (H-FMBI), 1-methyl-2-phenylbenzoimidazole (H-MBI), 1,2-diphenyl-benzoimidazole (H-PBI), 1-(4-(3,6-di-t-butylcarbazol-9-yl))phenyl-2-phenylbenzoimidazole (t-BuCz-H-PBI), and 1-(4-(3,6-di-(3,6-di-t-butyl-carbazol-9-yl))carbazol-9-yl)phenyl-2-phenylbenzoimidazole (t-BuCzCz-H-PBI)] are discussed. The crystal structure of (MBI)Pt(acac) shows a nearly ideal square planar geometry around the Pt atom and weak intermol. interactions with π-π spacing of 3.55 Å. All of the complexes emit green phosphorescence from the metal-to-ligand charge-transfer (MLCT) excited state with high quantum efficiency (0.08-0.17) at room temperature A multilayer organic light-emitting diode (OLED) with (MBI)Pt(acac) as phosphorescent dopant was fabricated using the method of high-vacuum thermal evaporation, which gives a maximum brightness, luminous and power efficiency of 13,605 cd/m², 15.1 cd/A and 4.3 lm/W, resp. In contrast, a comparable performance can be achieved in the solution-processed OLED based on (t-BuCzPBI)Pt(acac) with a peak brightness, luminous and power efficiency of 13,606 cd/m², 17.5 cd/A and 8.4 lm/W, resp. The better device efficiency results from the good square plane of the central Pt coordination unit and the inhibition of aggregates due to bulky and rigid t-butylcarbazole dendrons.

Journal of Organometallic Chemistry published new progress about 2622-67-5. 2622-67-5 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Benzene,Benzimidazole, name is 1,2-Diphenyl-1H-benzo[d]imidazole, and the molecular formula is C19H14N2, Computed Properties of 2622-67-5.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

da Luz, Murilo published the artcilePoly(ionic liquid)s-based polyurethane blends: effect of polyols structure and ILs counter cations in CO₂ sorption performance of PILs physical blends, Computed Properties of 79917-90-1, the publication is Polymer Bulletin (Heidelberg, Germany) (2022), 79(8), 6123-6139, database is CAplus.

Carbon dioxide (CO₂) capture from natural gas, and further utilization is an essential issue for greenhouse gas reduction Poly(ionic liquid)s (PILs) assemble ILs unique properties, with those of polymers being versatile materials for CO₂ capture from flue gas (CO₂/N₂) and natural gas (CO₂/CH₄). PILs based on polyurethanes obtained with different polyols and ILs cations were blended in different proportions aiming to improve PILs CO₂ sorption capacity. Two different polyols structures (PC and PG) and ILs counter cations (imidazolium and phosphonium) were tested to evaluate how they influence PILs blends CO₂ sorption performance. PILs and PILs blends were characterized by SEC, FTIR, DSC, TGA, DMTA, AFM, and CO₂ sorption that were carried out using the pressure-decay technique. PILs blends presented good thermal stability and mech. properties. PILs blend polyurethane backbones compositions can be tuned aiming to increase CO₂ sorption capacity. As far as we know, all obtained PILs blends presented higher CO₂ sorption capacity results compared with other Poly(ionic liquid)s reported in the literature. The best CO₂ sorption result was obtained for PIL blend with imidazolium (PLIPC95-PG5-BMIM = 116.9 mgCO₂/g at 303.15 K and 10 bar).

Polymer Bulletin (Heidelberg, Germany) published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Computed Properties of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem