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https://www.readbyqxmd.com/read/29790220/a-novel-linking-strategy-of-using-9-10-dihydroacridine-to-construct-efficient-host-materials-for-red-phosphorescent-organic-light-emitting-diodes
#1
Jian Fan, Xiang-Yang Liu, Yu-Yang Ma, Wenjuan Zhang, Bo Song, Lei Ding, Man-Keung Fung
Three novel 9,10-dihydroacridine derivatives, 4'-(10-methyl-9,9-diphenyl-9,10-dihydroacridin-4-yl)-[1,1'-biphenyl]-4-carbonitrile (MeAcPhCN), 4'-(9,9,10-triphenyl-9,10-dihydroacridin-4-yl)-[1,1'-biphenyl]-4-carbonitrile (PhAcPhCN), and 5-(4-(9,9,10-triphenyl-9,10-dihydroacridin-4-yl)phenyl)picolinonitrile (MeAcPyCN), were prepared by the attachment of [1,1'-biphenyl]-4-carbonitrile or 5-phenylpicolinonitrile to the 4-position of 9,10-dihydroacridine. This special linking strategy will limit the conjugation length, maintain the triplet energy and inhibit the intermolecular charge transfer (ICT) characteristics for these compounds...
May 22, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29768902/controlled-synthesis-of-hierarchical-pd-nanodendrites-and-their-electrocatalytic-properties
#2
Huan Wang, Beibei Zeng, Yanxi Zhao, Mei Li, Hanfan Liu, Tao Huang
Well-defined hierarchical Pd nanodendrites with (111) surface were successfully synthesized with Pd(acac)2 as a precursor, polyvinylpyrrolidone (PVP) as a stabilizer, CO as a reducing agent in the presence of appropriate amounts of NaAc and oleylamide (OAm) at 100 °C for 3 h under atmospheric pressure. OAm played an important role in controlling the growth of the hierarchical dendritic nanostructures of the final products. The formation of the hierarchical Pd dendrites was ascribed to the OAm-confined growth from the tips along 〈111〉 axis directions...
January 1, 2018: Journal of Nanoscience and Nanotechnology
https://www.readbyqxmd.com/read/29766167/ab-initio-calculation-of-energy-levels-of-trivalent-lanthanide-ions
#3
Alexandra Ya Freidzon, Ilia A Kurbatov, Vitaliy I Vovna
The energy levels of Ln3+ ions are known to be only slightly dependent on the ion environment. This allows one to predict the spectra of f-f transitions in Ln3+ complexes using group theory and simple semiempirical models: Russell-Saunders scheme for spin-orbit coupling, ligand-field theory for the splitting of the electronic levels, and Judd-Ofelt parameterization for reproducing the intensity of f-f transitions. Nevertheless, a fully ab initio computational scheme employing no empirical parameterization and suitable for any asymmetrical environment of Ln3+ would be instructive...
May 16, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29762020/can-electrochemical-measurements-be-used-to-predict-x-ray-photoelectron-spectroscopic-data-the-case-of-ferrocenyl-%C3%AE-diketonato-complexes-of-manganese-iii
#4
Blenerhassitt E Buitendach, Elizabeth Erasmus, J W Niemantsverdriet, Jannie C Swarts
In order to better understand intramolecular communication between molecular fragments, a series of ferrocene-functionalized β-diketonato manganese(III) complexes, [Mn(FcCOCHCOR)3 ] with R = CF3 , 1, CH3 , 2, Ph = C6 H5 , 3, and Fc = FeII (η5 -C5 H4 )(η5 -C5 H5 ), 4, the mixed ligand β-diketonato complex [Mn(FcCOCHCOFc)2 (FcCOCHCOCH3 )], 5, as well as the acac complex [Mn(CH3 COCHCOCH3 )3 ], 6, were subjected to an electrochemical and X-ray photoelectron spectroscopy (XPS) study. The ferrocenyl (FeII ) and MnIII redox potentials, E°', and photoelectron lines were sufficiently resolved in each complex to demonstrate a linear correlation between E°' and group electronegativities of ligand R groups, χR , or ΣχR , as well as with binding energies of both the Fe 2p3/2 and Mn 2p3/2 photoelectron lines...
May 15, 2018: Inorganic Chemistry
https://www.readbyqxmd.com/read/29749031/amphiphilic-block-copolymers-directed-interface-coassembly-to-construct-multifunctional-microspheres-with-magnetic-core-and-monolayer-mesoporous-aluminosilicate-shell
#5
Yu Zhang, Qin Yue, Lei Yu, Xuanyu Yang, Xiu-Feng Hou, Dongyuan Zhao, Xiaowei Cheng, Yonghui Deng
Core-shell magnetic porous microspheres have wide applications in drug delivery, catalysis and bioseparation, and so on. However, it is great challenge to controllably synthesize magnetic porous microspheres with uniform well-aligned accessible large mesopores (>10 nm) which are highly desired for applications involving immobilization or adsorption of large guest molecules or nanoobjects. In this study, a facile and general amphiphilic block copolymer directed interfacial coassembly strategy is developed to synthesize core-shell magnetic mesoporous microspheres with a monolayer of mesoporous shell of different composition, such as core-shell magnetic mesoporous aluminosilicate (CS-MMAS), silica (CS-MMS), and zirconia-silica (CS-MMZS), open and large pores by employing polystyrene-block-poly (4-vinylpyridine) (PS-b-P4VP) as an interface structure directing agent and aluminum acetylacetonate (Al(acac)3 ), zirconium acetylacetonate, and tetraethyl orthosilicate as shell precursors...
May 11, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29745942/chelated-metal-ions-modulate-the-strength-and-geometry-of-stacking-interactions-energies-and-potential-energy-surfaces-for-chelate-chelate-stacking
#6
Dušan P Malenov, SneŽana D Zarić
Quantum chemical calculations were performed on model systems of stacking interactions between the acac type chelate rings of nickel, palladium, and platinum. CCSD(T)/CBS calculations showed that chelate-chelate stacking interactions are significantly stronger than chelate-aryl and aryl-aryl stacking interactions. Interaction energy surfaces were calculated at the LC-ωPBE-D3BJ/aug-cc-pVDZ level, which gives energies in good agreement with CCSD(T)/CBS. The stacking of chelates in an antiparallel orientation is stronger than the stacking in a parallel orientation, which is in agreement with the larger number of antiparallel stacked chelates in crystal structures from the Cambridge Structural Database...
May 10, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29676422/yb-3-can-be-much-better-than-dy-3-smm-properties-and-controllable-self-assembly-of-novel-lanthanide-3-5-dinitrobenzoate-acetylacetonate-complexes
#7
Andrey V Gavrikov, Nikolay N Efimov, Andrey B Ilyukhin, Zhanna V Dobrokhotova, Vladimir M Novotortsev
The first representatives of the binuclear lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes, namely isostructural compounds [Ln(dnbz)(acac)2(H2O)(EtOH)]2 (Ln = Eu (1), Gd (2), Tb (3), Dy (4), Ho (5), Er (6), Tm (7), and Yb (8); dnbz - 3,5-dinitrobenzoate anion; acac - acetylacetonate (pentane-2,4-dionate) anion) were prepared and characterized. The SMM behavior of the Yb compound 8 was shown to be surprisingly less sensitive to the composition of the Yb3+ coordination environment in comparison with that of the Dy derivative...
April 20, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29645363/solvent-mediated-functionalization-of-benzofuroxan-on-electron-rich-ruthenium-complex-platform
#8
Goutam Kumar Lahiri
The present article reveals an unprecedented reactivity profile of biochemically relevant R-benzofuroxan (R=H, Me, Cl) with high structural diversity and molecular complexity on selective {Ru(acac)2} (acac=acetylacetonate) platform in conjugation with EtOH solvent mediation. This led to one-pot development of monomeric [RuIII(acac)2(L1R)] (1a-1c) (L1R = 2-nitrosoanilido derivatives) and dimeric [{RuII(acac)2}2(L2R)] (2a-2b) ((L2R=(1E,2E)-N1,N2-bis(2-nitrosophenyl)ethane-1,2-diimine derivatives) complexes with the change in metal redox...
April 12, 2018: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29629163/cobalt-catalyzed-regioselective-stereoconvergent-markovnikov-1-2-hydrosilylation-of-conjugated-dienes
#9
Hui Leng Sang, Songjie Yu, Shaozhong Ge
We report the first stereoconvergent Markovnikov 1,2-hydrosilylation of conjugated dienes using catalysts generated from bench-stable Co(acac)2 and phosphine ligands. A wide range of E / Z -dienes underwent this Markovnikov 1,2-hydrosilylation in a stereoconvergent manner, affording ( E )-allylsilanes in high isolated yields with high stereoselectivities ( E / Z  = >99 : 1) and high regioselectivities ( b / l up to > 99 : 1). Mechanistic studies revealed that this stereoconvergence stems from a σ-π-σ isomerization of an allylcobalt species generated by the 1,4-hydrometalation of Z -dienes...
January 28, 2018: Chemical Science
https://www.readbyqxmd.com/read/29624838/the-n-methylpyrrolidone-nmp-effect-in-iron-catalyzed-cross-coupling-with-simple-ferric-salts-and-memgbr
#10
Salvador B Munoz Iii, Stephanie L Daifuku, Jeffrey D Sears, Tessa M Baker, Stephanie H Carpenter, William W Brennessel, Michael Neidig
The use of N-methylpyrrolidone (NMP) as a co-solvent in ferric salt catalyzed cross-coupling reactions is crucial for achieving the highly selective, preparative scale formation of cross-coupled product in reactions utilizing alkyl Grignard reagents. Despite the critical importance of NMP, the molecular level effect of NMP on in-situ formed and reactive iron species that enables effective catalysis remains undefined. Herein, we report the isolation and characterization of a novel trimethyliron(II) ferrate species, [Mg(NMP)₆][FeMe₃]₂ (1), which forms as the major iron species in-situ in reactions of Fe(acac)₃ and MeMgBr under catalytically relevant conditions where NMP is employed as a co-solvent...
April 6, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29613778/manipulating-the-relaxation-of-quasi-d-4-d-dysprosium-compounds-through-alternation-of-the-o-donor-ligands
#11
Mei Guo, Jianfeng Wu, Olivier Cador, Jingjing Lu, Bing Yin, Boris Le Guennic, Jinkui Tang
Three mononuclear DyIII complexes with the same auxiliary ligand Lz (2,4-diamino-6-pyridyl-1,3,5-triazine), [Dy(TTA)3 Lz] (1Dy) (TTA = 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionate), [Dy(acac)3 Lz]·CH3 OH·0.5H2 O (2Dy) (acac = acetylacetonate), and [Dy(MQ)2 Lz2 ]Br·CH3 OH (3Dy) (HMQ = 2-methyl-8-quinolinol), have been synthesized through alteration of the ligands containing O donors. In all three complexes, the DyIII ions are eight-coordinate and submitted to pseudo- D4 d symmetry in the first coordination sphere...
April 3, 2018: Inorganic Chemistry
https://www.readbyqxmd.com/read/29613772/decoding-surface-interaction-of-v-iv-o-metallodrug-candidates-with-lysozyme
#12
Giuseppe Sciortino, Daniele Sanna, Valeria Ugone, Agustí Lledós, Jean-Didier Maréchal, Eugenio Garribba
The interaction of metallodrugs with proteins influences their transport, uptake, and mechanism of action. In this study, we present an integrative approach based on spectroscopic (EPR) and computational (docking) tools to elucidate the noncovalent binding modes of various VIV O compounds with lysozyme, a prototypical model of protein receptor. Five VIV O-flavonoid drug candidates formed by quercetin (que), morin (mor), 7,8-dihydroxyflavone (7,8-dhf), chrysin (chr), and 5-hydroxyflavone (5-hf)-effective against several osteosarcoma cell lines-and two benchmark VIV O species of acetylacetone (acac) and catechol (cat) are evaluated...
April 3, 2018: Inorganic Chemistry
https://www.readbyqxmd.com/read/29607898/studies-on-catalytic-activation-of-olefins-using-cobalt-complex
#13
Hiroki Shigehisa
In this review, I tell the story of the cobalt chemistry that has been developed in my group since 2011. First, we achieved the total synthesis of polyketide natural product trichodermatide A, which involved a late-stage Isayama-Mukaiyama hydration of an enol ether using cobalt(II) acetylacetonate (Co(acac)2 ) that gave the desired product chemo-, regio-, and diastereoselectively. After our report of this total synthesis in 2013, we were required to revise the originally reported structure of trichodermatide A following the accurate and important report from the Trauner group...
2018: Chemical & Pharmaceutical Bulletin
https://www.readbyqxmd.com/read/29582579/3d-interconnected-mesoporous-alumina-with-loaded-hemoglobin-as-a-highly-active-electrochemical-biosensor-for-h-2-o-2
#14
Xuanyu Yang, Xiaowei Cheng, Hongyuan Song, Junhao Ma, Panpan Pan, Ahmed A Elzatahry, Jiacan Su, Yonghui Deng
Alumina is one of the most common and stable metal oxides in nature, which has been developed as a novel adsorbent in enrichment of biomolecules due to its excellent affinity to phosphor or amino groups. In this study, ordered mesoporous alumina (OMA) with interconnected mesopores and surface acidic property is synthesized through a solvent evaporation induced co-assembly process using poly(ethylene oxide)-b-polystyrene (PEO-b-PS) diblock copolymer as a template and aluminium acetylacetonate (Al(acac)3 ) as the aluminium source...
March 27, 2018: Advanced Healthcare Materials
https://www.readbyqxmd.com/read/29568456/bis-aminothiolato-nickel-nanosheet-as-a-redox-switch-for-conductivity-and-an-electrocatalyst-for-the-hydrogen-evolution-reaction
#15
Xinsen Sun, Kuo-Hui Wu, Ryota Sakamoto, Tetsuro Kusamoto, Hiroaki Maeda, Xiaojuan Ni, Wei Jiang, Feng Liu, Sono Sasaki, Hiroyasu Masunaga, Hiroshi Nishihara
A π-conjugated coordination nanosheet comprising bis(aminothiolato)nickel ( NiAT ) moieties was synthesized by the reaction of Ni(acac)2 with 1,3,5-triaminobenzene-2,4,6-trithiol at liquid-liquid and gas-liquid interfaces. The sheet thickness could be controlled down to a single layer (0.6 nm). Selected area electron diffraction and grazing incidence X-ray diffraction analyses indicated the formation of a flat crystalline sheet with a kagome lattice stacked in a staggered alignment. NiAT was reversibly interconverted to a bis(iminothiolato)nickel ( NiIT ) nanosheet by the chemical 2H+ -2e- reaction, which was accompanied by a drastic change in electrical conductivity from 3 × 10-6 to 1 × 10-1 S cm-1 ...
December 1, 2017: Chemical Science
https://www.readbyqxmd.com/read/29561028/mitochondria-localizing-bodipy-copper-ii-conjugates-for-cellular-imaging-and-photo-activated-cytotoxicity-forming-singlet-oxygen
#16
Arnab Bhattacharyya, Aida Jameei, Aditya Garai, Rupak Saha, Anjali A Karande, Akhil R Chakravarty
Copper(ii) acetylacetonates of N,N,N-donor dipicolylamine (dpa) ligands, viz. [Cu(L1)(acac)]ClO4 (1), [Cu(L2)(acac)]ClO4 (2) and [Cu(L3)(acac)]ClO4 (3), where L1 is benzyldipicolylamine (bzdpa), L2 and L3 are non-iodinated and diiodinated BODIPY (borondipyrromethene) ligands and Hacac is acetylacetone, were synthesized and characterized and their photocytotoxicity was studied. The BODIPY complex 2, structurally characterized by X-ray crystallography, has copper(ii) in a distorted square-pyramidal geometry (degree of trigonality, τ5 = 0...
March 21, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29556743/exploration-of-selected-electronic-characteristics-of-half-sandwich-organoruthenium-ii-%C3%AE-diketonate-complexes
#17
Zuzana Sochorová Vokáčová, Iztok Turel, Jaroslav V Burda
Based on experimental work, 12 half-sandwich organoruthenium(II) complexes with p-cymene and various substituted β-diketonates (acac) modified by several functional groups were explored. These complexes were optimized at the B3PW91/6-31 + G(d)/PCM/UFF computational level with the Ru atom described by Stuttgart pseudopotentials. The electron density analysis was performed using the B3LYP/ 6-311++G(2df,2pd)/DPCM/scaled-UAKS model. Electrostatic and averaged local ionization potential were explored and extremes on 0...
March 20, 2018: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29503997/interaction-of-gas-phase-copper-ii-acetylacetonate-with-slow-electrons
#18
Janina Kopyra, Franck Rabilloud, Hassan Abdoul-Carime
Understanding the fundamental processes underlying the interaction of organometallic compounds with low energy electrons is desirable for optimizing methodologies for nanoscale applications. In this work, we couple experimental measurements with theories to investigate the interaction of gas phase copper(ii) acetylacetonate, Cu(acac)2 , with low energy (<12 eV) electrons. Near 0 eV, a multipole-bound anion is likely to act as the doorway for the formation of a transitory molecular anion which then undergoes stabilization via a 90°-rotation of one of the acac units...
March 14, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29487933/synthesis-structural-characterization-and-nmr-studies-of-group-10-metal-complexes-with-macrocyclic-amine-n-heterocyclic-carbene-ligands
#19
Taotao Lu, Zhiming Liu, Carlos A Steren, Fan Fei, Tabitha M Cook, Xue-Tai Chen, Zi-Ling Xue
A series of Ni(ii), Pd(ii) and Pt(ii) complexes [ML][PF6 ]2 [L = L1 , M = Ni (1), Pd (2), Pt (3); L = L2 , M = Ni (4), Pd (5), Pt (6)] and [Pt(L2 )(acac)] (7) have been prepared by the reactions of two tetradentate macrocyclic amine-NHC ligand precursors, [H2 L1 ][PF6 ]2 and [H2 L2 ][PF6 ]2 , with Ni(OAc)2 ·4H2 O, Pd(OAc)2 and Pt(acac)2 in the presence of NaOAc. Complex 7 is isolated along with 6 from the same reaction between [H2 L2 ][PF6 ]2 and Pt(acac)2 . There are two atropisomers in 1-3 and two achiral conformers in 4-6...
March 28, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29481052/4-diphenylaminocarbazole-switching-substituent-position-for-voltage-reduction-and-efficiency-enhancement-of-oleds
#20
Shahid Ameen, Seul Bee Lee, Yong Guk Lee, Sung Cheol Yoon, Jaemin Lee, Changjin Lee
Simple but exceptionally efficient 4-diphenylaminocarbazole host material, 4-DPACz, is presented and compared with its positional isomer, 1-DPACz. The shift of diphenylamino substituent from the 1-position to 4-position of carbazole resulted in an increase in the HOMO energy level as well as an increase in triplet energy level. Having a high triplet energy level (2.76 eV) and well-matched HOMO energy level (-5.61 eV), 4-DPACz showed reduced driving voltage and higher efficiencies for solution-processed green PhOLEDs compated to PVK as well as 1-DPACz...
March 14, 2018: ACS Applied Materials & Interfaces
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