Results 81 to 90 of about 334,731 (408)

[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene-κC2)(triphenylphosphane-κP)iridium(I) tetrafluoridoborate

IUCrData, 2017
In the title compound, [Ir(C8H12)(C8H14N2)(C18H15P)]BF4, the cationic complex has the anticipated square-planar geometry. The asymmetric unit comprises the iridium complex and one tetrafluoridoborate anion.
Karam B. Idrees, William J. Rutledge, Sue A. Roberts, Edward Rajaseelan   +3 more
doaj   +1 more source

Transport properties of room temperature ionic liquids from classical molecular dynamics [PDF]

J. Chem. Phys. 137, 044508 (2012), 2012
Room Temperature Ionic Liquids (RTILs) have attracted much of the attention of the scientific community in the past decade due the their novel and highly customizable properties. Nonetheless their high viscosities pose serious limitations to the use of RTILs in practical applications.
arxiv   +1 more source

In Situ Constructed Magnetic Core‐Shell Hydrogen‐Bonded Organic Framework‐on‐Metal–Organic Framework Structure: an Efficient Catalyst for Peroxymonosulfate Activation

Advanced Functional Materials, EarlyView.
In this work, a magnetic core‐shell catalyst (HOF‐on‐Fe3O4/ZIF‐67) is successfully synthesized, consisting of a metal–organic framework (ZIF‐67) with magnetic Fe3O4 as the core and a porous hydrogen‐bonded organic framework (HOF) as the shell. The catalyst efficiently activated peroxymonosulfate, resulting in rapid and effective removal of water ...
Yingying Du, Chenhui Ding, Chao Deng, Susanta Banerjee, Seema Agarwal   +4 more
wiley   +1 more source

Synthesis and Antibacterial Activities of New Metronidazole and Imidazole Derivatives

Molecules, 2009
New imidazole ring derivatives comprising 1,3-oxazoline, Schiff's bases, thiadiazole, oxadiazole and 1,2,4-triazole moieties are reported. 3-Aminobiimidazol-4-one compounds 7a-c were synthesized by the reaction of compounds 6a-c with hydrazine hydrate ...
Abdul Jabar Kh. Atia
doaj   +1 more source

2-(3,5-Dimethylbenzene)-1-ferrocenylmethyl-1H-1,3-benzimidazole [PDF]

, 2007
In the title molecule, [Fe(C5H5)(C21H19N2)], the five-membered imidazole ring forms dihedral angles of 88.61 (8) and 42.15 (6)° with the substituted cyclopentadienyl and dimethyl-substituted benzene rings, respectively. In the crystal structure, there is
Gallagher, John F., Hanlon, Keith, Howarth, Joshua   +2 more
core   +1 more source

Studien über Imidazole [PDF]

Justus Liebigs Annalen der Chemie, 1893
n ...
openaire   +2 more sources

In‐Situ Growth of 2D MOFs as a Molecular Sieving Layer on SnS2 Nanoflakes for Realizing Ultraselective H2S Detection

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
The ultraselective H2S detection of the ZIF‐L/SnS2 heterostructure is demonstrated. The introduction of 2‐dimensional (2D) breathable ZIF‐L results in a substantial increase in H2S selectivity attributable to the molecular sieving effect, which impedes the permeation of gases with large kinetic diameters and high polarity.
Soo Min Lee, Yeong Jae Kim, Seon Ju Park, Woo Seok Cheon, Jaehyun Kim, Gi Baek Nam, Youngeun Kim, Ho Won Jang   +7 more
wiley   +1 more source

Synthesis, Single Crystal X-ray Structure, DFT Computations, Hirshfeld Surface Analysis and Molecular Docking Simulations on ({[(1E)-1-(1,3-Benzodioxol-5-yl)-3-(1H-imidazol-1-yl)propylidene]amino}oxy)(furan-2-yl)methanone: A New Antifungal Agent

Crystals, 2019
The development of drug-resistance and high morbidity rates due to life-threatening fungal infections account for a major global health problem. A new antifungal imidazole-based oximino ester 5 has been prepared and characterized with the aid of ...
Reem I. Al-Wabli, Alwah R. Al-Ghamdi, S. V. Aswathy, Hazem A. Ghabbour, Mohamed H. Al-Agamy, I. Hubert Joe, Mohamed I. Attia   +6 more
doaj   +1 more source

Imidazole and Benzimidazole Modified Half-Sandwich IridiumIIIN-Heterocyclic Carbene Complexes: Synthesis, Anticancer Application, and Organelle Targeting

Frontiers in Chemistry, 2020
Herein, we report the synthesis, characterization and anticancer activity of a series of half-sandwich iridiumIII imidazole and benzimidazole N-heterocyclic carbene (NHC) anticancer complexes, and the general formula of which can be expressed as [(η5-Cpx)
Xicheng Liu, Yali Han, Xingxing Ge, Zhe Liu   +3 more
doaj   +1 more source

Charge-Transfer Matrix Elements by FMO-LCMO Approach: Hole Transfer in DNA with Parameter Tuned Range-Separated DFT [PDF]

Chemical Physics Letters 621 (2015) 96-101, 2016
A scheme for computing charge-transfer matrix elements with the linear combination of fragment molecular orbitals and the 'nonempirically tuned range-separated' density functional is presented. It takes account of the self-consistent orbital relaxation induced by environmental Coulomb field and the exchange interaction in fragment pairs at low ...
arxiv   +1 more source