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Open accessJournalISSN: 2041-6520

Chemical Science

About: Chemical Science is an academic journal. The journal publishes majorly in the area(s): Catalysis & Enantioselective synthesis. It has an ISSN identifier of 2041-6520. It is also open access. Over the lifetime, 10283 publication(s) have been published receiving 371024 citation(s).

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Journal ArticleDOI: 10.1039/C1SC00513H
Jeffrey D. Rinehart1, Jeffrey R. Long1Institutions (1)
11 Oct 2011-Chemical Science
Abstract: Scientists have long employed lanthanide elements in the design of materials with extraordinary magnetic properties, including the strongest magnets known, SmCo5 and Nd2Fe14B. The properties of these materials are largely a product of fine-tuning the interaction between the lanthanide ion and the crystal lattice. Recently, synthetic chemists have begun to utilize f-elements—both lanthanides and actinides—for the construction of single-molecule magnets, resulting in a rapid expansion of the field. The desirable magnetic characteristics of the f-elements are contingent upon the interaction between the single-ion electron density and the crystal field environment in which it is placed. This interaction leads to the single-ion anisotropies requisite for strong single-molecule magnets. Therefore, it is of vital importance to understand the particular crystal field environments that could lead to maximization of the anisotropy for individual f-elements. Here, we summarize a qualitative method for predicting the ligand architectures that will generate magnetic anisotropy for a variety of f-element ions. It is hoped that this simple model will serve to guide the design of stronger single-molecule magnets incorporating the f-elements.

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Topics: Single-molecule magnet (57%), Magnetic anisotropy (52%), Magnet (51%)

1,425 Citations


Open accessJournal ArticleDOI: 10.1039/C4SC03141E
01 Jan 2015-Chemical Science
Abstract: We report on reversible, light-induced transformations in (CH3NH3)Pb(BrxI1−x)3. Photoluminescence (PL) spectra of these perovskites develop a new, red-shifted peak at 1.68 eV that grows in intensity under constant, 1-sun illumination in less than a minute. This is accompanied by an increase in sub-bandgap absorption at ∼1.7 eV, indicating the formation of luminescent trap states. Light soaking causes a splitting of X-ray diffraction (XRD) peaks, suggesting segregation into two crystalline phases. Surprisingly, these photo-induced changes are fully reversible; the XRD patterns and the PL and absorption spectra revert to their initial states after the materials are left for a few minutes in the dark. We speculate that photoexcitation may cause halide segregation into iodide-rich minority and bromide-enriched majority domains, the former acting as a recombination center trap. This instability may limit achievable voltages from some mixed-halide perovskite solar cells and could have implications for the photostability of halide perovskites used in optoelectronics.

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Topics: Photoluminescence (53%), Perovskite (structure) (52%), Absorption spectroscopy (50%) ...read more

1,199 Citations


Open accessJournal ArticleDOI: 10.1039/C0SC00331J
David S. Surry1, Stephen L. Buchwald1Institutions (1)
01 Jan 2011-Chemical Science
Abstract: Dialkylbiaryl phosphines are a valuable class of ligand for Pd-catalyzed amination reactions and have been applied in a range of contexts. This perspective attempts to aid the reader in the selection of the best choice of reaction conditions and ligand of this class for the most commonly encountered and practically important substrate combinations.

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Topics: Amination (56%)

1,115 Citations


Open accessJournal ArticleDOI: 10.1039/C1SC00117E
14 Jun 2011-Chemical Science
Abstract: Amorphous molybdenum sulfide films are efficient hydrogen evolution catalysts in water. The films are prepared via simple electro-polymerization procedures and are characterized by XPS, electron microscopy and electronic absorption spectroscopy. Whereas the precatalysts could be MoS3 or MoS2, the active form of the catalysts is identified as amorphous MoS2. Significant geometric current densities are achieved at low overpotentials (e.g., 15 mA cm−2 at η = 200 mV) using these catalysts. The catalysis is compatible with a wide range of pHs (e.g., 0 to 13). The current efficiency for hydrogen production is quantitative. A 40 mV Tafel slope is observed, suggesting a rate-determining ion+atom step. The turnover frequency per active site is calculated. The amorphous molybdenum sulfide films are among the most active non-precious hydrogen evolution catalysts.

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Topics: Amorphous solid (59%), Hydrogen production (55%), Tafel equation (53%) ...read more

1,074 Citations


Open accessJournal ArticleDOI: 10.1039/C2SC20045G
06 Jun 2012-Chemical Science
Abstract: It has become common to reference “pi-stacking” forces or “pi–pi interactions” when describing the interactions between neighbouring aromatic rings. Here, we review experimental and theoretical literature across several fields and conclude that the terms “pi-stacking” and “pi–pi interactions” do not accurately describe the forces that drive association between aromatic molecules of the types most commonly studied in chemistry or biology laboratories. We therefore propose that these terms are misleading and should no longer be used. Even without these terms, electrostatic considerations relating to polarized pi systems, as described by Hunter and Sanders, have provided a good qualitative starting place for predicting and understanding the interactions between aromatics for almost two decades. More recent work, however, is revealing that direct electrostatic interactions between polarized atoms of substituents as well as solvation/desolvation effects in strongly interacting solvents must also be considered and even dominate in many circumstances.

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  • Fig. 2 Possible aromatic stacking arrangements. (a) Parallel face-centred. (b) Parallel offset. (c) Perpendicular t-shaped. (d) Perpendicular y-shaped. (e) Parallel offset for toluene.
    Fig. 2 Possible aromatic stacking arrangements. (a) Parallel face-centred. (b) Parallel offset. (c) Perpendicular t-shaped. (d) Perpendicular y-shaped. (e) Parallel offset for toluene.
  • Fig. 3 The polarity parameter ET(30) 128 plotted against calculated free energy change values for the 1 : 1 donor:acceptor complexes measured in Table 1; 1–9 represent the experimental solvent conditions from the table.
    Fig. 3 The polarity parameter ET(30) 128 plotted against calculated free energy change values for the 1 : 1 donor:acceptor complexes measured in Table 1; 1–9 represent the experimental solvent conditions from the table.
Topics: Non-covalent interactions (52%), Stacking (51%)

996 Citations


Performance
Metrics
No. of papers from the Journal in previous years
YearPapers
20221
20211,590
20201,418
20191,283
20181,033
20171,013

Top Attributes

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Journal's top 5 most impactful authors

Ben Zhong Tang

48 papers, 3.3K citations

Chi-Ming Che

25 papers, 1K citations

Christopher A. Hunter

19 papers, 394 citations

Dirk M. Guldi

18 papers, 467 citations

He Tian

15 papers, 746 citations

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