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69506-91-8

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69506-91-8 Usage

Structure

A benzene ring with two imidazole rings attached at the 1 and 3 positions

Application

Used as a ligand in coordination chemistry

Specific Use

Synthesis of metal-organic frameworks and coordination polymers

Potential

Building block for designing novel materials

Applications

Catalysis, sensing, and drug delivery

Field of Interest

Supramolecular chemistry and materials science

Check Digit Verification of cas no

The CAS Registry Mumber 69506-91-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,5,0 and 6 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 69506-91:
(7*6)+(6*9)+(5*5)+(4*0)+(3*6)+(2*9)+(1*1)=158
158 % 10 = 8
So 69506-91-8 is a valid CAS Registry Number.

69506-91-8Relevant articles and documents

Reprint of structural diversity of cobalt(II) coordination compounds involving bent imidazole ligand: A route from 0D dimer to 3D coordination polymer

Schlechte, Laura,Bon, Volodymyr,Grünker, Ronny,Klein, Nicole,Senkovska, Irena,Kaskel, Stefan

, p. 1481 - 1488 (2013)

Mixed ligand approach could be successfully applied to design porous three-dimensional coordination polymers, involving 1,3-bis(imidazol-1-yl)benzene (1,3-bib) as ligand. Five novel Co(II) compounds with different dimensionality have been synthesized. Utilizing only 1,3-bib in the solvothermal reaction with Co(II) salts, only molecular dimer Co2(bib)2Cl4 or 1D polymer Co2(1,3-bib)2(NO3)2 could be synthesized. Copolymerization technique using additional linear dicarboxylates 1,4-benzenedicarboxylate (1,4-bdc) or 2,6- naphthalenedicarboxylate (2,6-ndc) facilitates the formation of 2D layered coordination polymers Co(1,3-bib)(1,4-bdc) and Co(1,3-bib)(2,6-ndc). Utilizing 4,4′-biphenyldicarboxylate (4,4′-bpdc) as a co-linker, a 3D metal-organic framework Co3(1,3-bib)(4,4′-bpdc)3 (DUT-58, DUT-Dresden University of Technology), possessing two interpenetrated uninodal 8-connected frameworks, has been obtained. DUT-58 exhibits a specific surface area of 1208 m2/g and adsorbs 27 mg/g hydrogen (maximum excess value at 30 bar and 77 K), 0.18 g/g n-butane (at 293 K) and 72 mg/g methane (maximum excess value at 60 bar and 298 K).

Synthesis of AuI- and AuIII-Bis(NHC) Complexes: Ligand Influence on Oxidative Addition to AuISpecies

Collado, Alba,Bohnenberger, Jan,Oliva-Madrid, María-José,Nun, Pierrick,Cordes, David B.,Slawin, Alexandra M. Z.,Nolan, Steven P.

, p. 4111 - 4122 (2016)

The oxidation chemistry of a range of AuI-bis(NHC) (NHC = N-heterocyclic carbene) complexes with hypervalent iodine(III) oxidants has been explored. AuI-bis(NHC) precursors have been synthesised by treatment of the corresponding [Au(NHC)Cl] derivatives with imidazol(idin)ium salts in the presence of K2CO3. The reactivity of the AuIcomplexes towards PhICl2has revealed an influence of the nature of the NHC ligands present in the complex on the outcome of the oxidation reaction: small and more strongly electron-donating NHC ligands favoured the formation of a AuIIIspecies. On the basis of these results, a AuIcomplex bearing two 1-butyl-3-methylimidazol-2-ylidene (BMIM) ligands has been synthesised. This complex reacted with PhICl2and also – for the first time in Au-NHC systems – with PhI(OAc)2and PhI(OAcF)2(OAcF= trifluoroacetate), affording stable AuIII-(NHC)2complexes bearing acetate ligands.

Synthesis, air stability, photobleaching, and DFT modeling of blue light emitting platinum CCC-N-heterocyclic carbene pincer complexes

Zhang, Xiaofei,Wright, Ashley M.,Deyonker, Nathan J.,Hollis, T. Keith,Hammer, Nathan I.,Webster, Charles Edwin,Valente, Edward J.

, p. 1664 - 1672 (2012)

The recently reported metalation/transmetalation route for the synthesis of CCC-bis(NHC) pincer ligand supported transition-metal complexes was extended to Pt. 2-(1,3-Bis(N-butylimidazol-2-ylidene)phenylene)(chloro)platinum(II) (1) and its bromo analogue 2 were synthesized and characterized. X-ray crystal structure determinations revealed complexes 1 and 2 to have distorted-square- planar configurations around the metal. Photophysical and thermal properties of these complexes are reported, and their extended photostability in air is discussed and contrasted. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) computations of the ground state and various low-lying excited states have revealed admixing of Pt 5d orbitals and the ligand π* orbitals for both the ground state and the low-lying excited states of complex 1, indicating the low-lying states to be a mixture of metal-to-ligand charge-transfer and ligand-centered transition (MLCT-LC). Somewhat surprisingly, the computed gas-phase geometry of the excited state of complex 1 had a significant distortion, mostly about the Caryl-Pt-Cl angle. These complexes were congeners of materials for organic light emitting diodes (OLEDs).

Spin-Canted Antiferromagnetic Ordering in Transition Metal-Organic Frameworks Based on Tetranuclear Clusters with Mixed V- and Y-Shaped Ligands

Cao, Chen,Liu, Sui-Jun,Yao, Shu-Li,Zheng, Teng-Fei,Chen, Yong-Qiang,Chen, Jing-Lin,Wen, He-Rui

, p. 4757 - 4765 (2017)

Four transition metal-organic frameworks were solvothermally synthesized with V-shaped 1,3-bis(1-imidazolyl)benzene (bib) and two Y-shaped carboxylate ligands (1,3,5-benzenetricarboxylic acid (H3btc) and 3,5-pyridinedicarboxylic acid (H2pydc)), namely, {[M2(μ3-OH)(bib)(btc)]·H2O}n (M = Co (1) and Fe (2)) and {[M′2(μ3-OH)(μ2-NO3)(bib)(pydc)]·solvents}n (M′ = Co (3) and Ni (4)). All of them are characterized by single-crystal X-ray diffraction, infrared spectrosopy, and powder X-ray diffraction. Both complexes 1 and 2 present two-dimensional (3,8)-connected layer structures, and the point symbol is (3.42)2(34.46.56.68.73.8), but Fe2 in 2 is weakly coordinated to O5 as a trigonal bipyramidal geometry compared with the tetrahedral Co2 in 1, while complexes 3 and 4 exhibit three-dimensional pillar-layer structures with (3,8)-connected tfz-d net. Interestingly, nitrate anions with a rare μ2-η2 coordination mode take part in coordination, and rectangular channels along the c axis exist in 3 and 4. Magnetic studies indicate that 1 and 2 present antiferromagnetic behaviors, while 3 and 4 show the coexistence of spin-canting and long-range magnetic ordering.

Crystal engineering with palladium(II)-based self-assembled binuclear complexes as tectons

Ganta, Sudhakar,Jagan, Rajamony,Chand, Dillip K.

, p. 33 - 41 (2019)

A series of binuclear palladium(II)-based self-assembled metallomacrocycles of Pd2L′2L2 type compositions were synthesized by complexation of an imidazole appended non-chelating bidentate ligand L with different cis-protec

[3+2+1]coordination configuration iridium metal complex, preparation method thereof and organic electroluminescent device

-

Paragraph 0095-0097, (2020/06/24)

The invention belongs to the technical field of organic photoelectric materials, and discloses an iridium metal complex with [3+2+1] coordination configuration as well as a preparation method and an application thereof. The iridium metal complex has a structure as shown in a formula (I). According to the iridium metal complex, emission wavelength from deep ultraviolet to infrared, relatively highquantum efficiency and adjustable phosphorescence lifetime are realized by synergistically adjusting bidentate ligands and utilizing the strong field ligand effect of tridentate ligands and monodentate ligands. The iridium metal complex is applied to preparation of an object material of a light-emitting layer in an organic light-emitting device. The invention further discloses an organic light-emitting device, at least one functional layer contains the iridium metal complex, the complex is used as an object material of a light-emitting layer, and the OLED device with high blue light emitting efficiency is prepared.

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