A5079897683- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Metalloenzymes and iron-sulfur proteins
- Electrocatalysts for Energy Conversion
- Crystallography and molecular interactions
- Metal-Organic Frameworks: Synthesis and Applications
- Magnetism in coordination complexes
- Catalytic C–H Functionalization Methods
- Synthesis and Catalytic Reactions
- Advanced battery technologies research
- Metal-Catalyzed Oxygenation Mechanisms
- Covalent Organic Framework Applications
- Zeolite Catalysis and Synthesis
- CO2 Reduction Techniques and Catalysts
- Mercury impact and mitigation studies
- Hybrid Renewable Energy Systems
- Copper-based nanomaterials and applications
- Organometallic Compounds Synthesis and Characterization
- Synthesis and Properties of Aromatic Compounds
- Mesoporous Materials and Catalysis
- Catalysis and Hydrodesulfurization Studies
- Crystal structures of chemical compounds
- Ammonia Synthesis and Nitrogen Reduction
- Cyclization and Aryne Chemistry
- Trace Elements in Health
University of California, San Francisco
2025
University of California, Berkeley
2020-2023
Lawrence Berkeley National Laboratory
2019-2023
National University of Singapore
2014-2017
Soochow University
2012-2016
Hydrogen is regarded as an attractive alternative energy carrier due to its high gravimetric density and only water production upon combustion. However, low volumetric density, there are still some challenges in practical hydrogen storage transportation. In the past decade, using chemical bonds of liquid organic molecules carriers generate situ provided a feasible method potentially solve this problem. Research efforts on (LOHCs) seek systems advanced catalytic materials that have potential...
Developing highly efficient and reversible hydrogenation-dehydrogenation catalysts shows great promise for hydrogen storage technologies with desirable economic ecological benefits. Herein, we show that reaction sites consisting of single Pt atoms neighboring oxygen vacancies (V
Structural regulation of the active centers is often pivotal in controlling catalytic functions, especially iron-based oxidation systems. Here, we discovered a significantly altered pathway via simple cation intercalation into layered iron oxychloride (FeOCl) scaffold. Upon FeOCl with potassium iodide (KI), new stable phase K+-intercalated (K-FeOCl) was formed slided layers, distorted coordination, and high-spin Fe(II) species compared to pristine precursor. This structural manipulation...
In nature, nonheme iron enzymes use dioxygen to generate high-spin iron(IV)=O species for a variety of oxygenation reactions. Although synthetic chemists have long sought mimic this reactivity, the enzyme-like activation O2 form iron(IV) = O remains an unrealized goal. Here, we report metal-organic framework featuring iron(II) sites with local structure similar that in α-ketoglutarate-dependent dioxygenases. The reacts at low temperatures are characterized using situ diffuse reflectance...
Nanoporous membranes with two-dimensional materials such as graphene oxide have attracted attention in volatile organic compounds (VOCs) and H2 adsorption because of their unique molecular sieving properties operational simplicity. However, agglomeration sheets low efficiency remain challenging. Therefore, we designed hierarchical nanoporous (HNMs), a class nanocomposites combined carbon sphere oxide. Hierarchical spheres, prepared following Murray's law using chemical activation...
Abstract The evolution of proteins that bind to small molecules and catalyze chemical transformations played a central role in the emergence life. While natural have finely tuned affinity for their primary ligands, they also often weak affinities other molecules. These interactions serve as starting points new specificities functions. Inspired by this concept, we determined ability simple de novo protein set diverse (< 300 Da) crystallographic fragment screening. We then used information...
Electrocatalytic proton reduction based on a dimanganese hexacarbonyl anion.
A dimanganese complex containing a redox-active elongated disulfide bond electrocatalyses proton reduction.
The mechanism of aromatic C-H amination benzene via a nitrene insertion approach catalyzed by the Tp(Br3)Cu(NCMe) complex was computationally investigated. results computational studies show that addition moiety Tp(Br3)Cu-nitrene intermediate to benzene, and therefore, form an aziridine intermediate, is more favorable than induced hydrogen atom abstraction from sp(2) bond benzene. Subsequently, cleavage C-N followed H-atom transfer step might occur, due driving force rearomatization, afford...
A pentacoordinated triphosphine benzenedithiolatoiron(II) complex containing a vacant site for binding has been prepared and characterized. The is found to be robust proton reduction catalyst with an overpotential of 0.56 V turnover frequency 2900 s-1 respect 0.28 M acetic acid as the source. mechanism describing electroproton process proposed.
Reactions of the precursor cluster [Et4N][Tp*W(μ3–S)3(CuCl)3] (Tp* = hydridotris(3,5-dimethylpyrazol-1-yl)borate) (1) with 2 equiv AgSCN produced one 1D [Tp*W(μ3–S)3Cu3]-based coordination polymer [Tp*W(μ3–S)3Cu2Cu(μ–SCN)(μ3–SCN)]2·Et2O (2·Et2O) while analogous reactions 1 Nadca (dca dicyanamide) formed 2D [Tp*W(μ3–S)3Cu3(μ1,5–dca)(μ1(3),5–dca)]2·CH2Cl2 (3·CH2Cl2). Compounds 2–3 were characterized by elemental analysis, IR spectra, UV-vis 1H NMR and crystal structures 2·Et2O 3·CH2Cl2...
Four manganese selenolato carbonyl complexes have been synthesized and used as electrocatalyst for proton reduction.
Reactions of [Zn(Tab)4](PF6)2 (Tab = 4-(trimethylammonio)benzenethiolate) (1) with 2,2′-bipyridine (2,2′-bipy), 1,10-phenanthroline (phen), 2,9-dimethyl-1,10-phenanthroline (2,9-dmphen), N-methylimidazole (N-Meim), and 2,6-bis(pyrazol-3-yl)pyridine (bppy) or CoCl2·6H2O at the presence N-donor ligands (2,2′-bipy, phen, 4,4′-dimethyl-2,2′-bipyridine (4,4′-dmbpy), 2,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)pyridine (bdmppy))gave rise to a family zinc cobalt thiolate complexes, [Zn(Tab)2(L)](PF6)2 (2:...
Reaction of MeHgI with Ag2O in H2O followed by addition equimolar TabHPF6 MeCN gave rise to a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF6 (1) (TabH = 4-(trimethylammonio)benzenethiol) high yield. Treatment 1 KI and KSCN afforded an anion exchange product [MeHg(Tab)]I·0.25H2O (2·0.25H2O) [MeHg(Tab)]SCN (3), respectively, while that Tab resulted the formation another MeHg/Tab compound [MeHg(Tab)2]PF6 (4). The cation 2 or 3 shows approximately linear structure which central...
The AuCl3-catalyzed nitrene insertion into an aromatic C—H bond of mesitylene demonstrates a unique activity and chemoselectivity in direct aminations. Mechanisms for catalytic are examined here using theory. AuCl3 catalyst favors formation complex with the PhI═NNs (Ns = p-nitrobenzenesulfonyl) substrate, followed by appearance key (N-chloro-4-nitrophenylsulfonamido)gold(III) chloride intermediate (INT5). However, putative gold(III)-nitrene analogue (AuCl3–NNs complex) is thermodynamically...
Computational analyses of the tris(3,4-dimethylenecyclobuteno)benzene molecule indicate that absence equivalent a HOMO an etheno group between internal carbon atoms annelating butadieno groups is mainly responsible for relatively weak cyclohexatriene-like fixation in central benzene ring. To increase extent C–C bond-length alternation moiety, two strategies modification are proposed to make presence groups. The first introduce π-electron-donating heteroatom/group form five-membered ring with...