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6 Mar 2023 • Journal Article • The Journal of Physical Chemistry C
Adsorbate Bond Number Dependency for σ- and π-bonds in Linear Scaling Relationships
AbstractDespite the exigent role of heterogeneous catalysts, designing them in a bottom-up fashion remains a challenge. Linear scaling relationships are, thus far, perhaps the most auspicious first-principles design methodology relating adsorbate strength to catalyst activity. Yet, the successful application of scaling relations as a general design strategy, or even rationally
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6 Mar 2023 • Journal Article • Angewandte Chemie
Facile Synthesis of an Octagermacubane with Two Three-Coordinate Germanium(0) Atoms and its Unique Radical Anion
AbstractThermolysis of a 1:1 mixture of tris(di-tert-butylmethylsilyl)germane 9 and bis(di-tert-butylmethylsilyl)germane 17 at 100°C produces unexpectedly octagermacubane 18, having two 3-coordinate Ge(0) atoms (40% yield). 18 was characterized by X-ray crystallography and is a singlet biradical. Reactions of 18 with CH2Cl2 and H2O yield the novel dichloro-octagermacubane 24
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2 Mar 2023 • Journal Article • The Journal of Physical Chemistry Letters
Ultrafast Coherent Delocalization Revealed in Multilayer QDs under a Chiral Potential
AbstractIn recent years, it was found that current passing through chiral molecules exhibits spin preference, an effect known as Chiral Induced Spin Selectivity (CISS). The effect also enables the reduction of scattering and therefore enhances delocalization. As a result, the delocalization of an exciton generated in the dots is not symmetric and relates to the electronic and
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27 Feb 2023 • Journal Article • Tetrahedron
Towards catalytic aminoglycoside: Probing the modification of kanamycin B at the 3′- and 4′-positions
AbstractThe chemistry of selective modification of kanamycin B at the 3′- and 4′-positions of ring I and the evaluation of the resulting derivatives in cell-free translation inhibition and MIC assays are presented. The first synthesis of 3′-epi-kanamycin B (4) and its 3′-amine analogue, 3′-amino-3′- deoxy-epi-kanamycin B (5) was accomplished from commercial kanamycin B
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26 Feb 2023 • Journal Article • Journal of Catalysis
Rational design of aldimine imidazolidin-2-imine/guanidine nickel catalysts for norbornene (Co)polymerizations with enhanced catalytic performance
AbstractThe development of late transition metal catalysts bearing novel ligand platforms is a convenient pathway to obtain prospective systems with enhanced catalytic performance, however, it remains a challenge in the field of olefin (co)polymerizations. In this contribution, a new family of [N,N]-type of bidentate aldimine imidazolidin-2-imine/guanidine ligands and their
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14 Feb 2023 • Journal Article • Biomacromolecules
Glycoproteins as a Platform for Making Proton-Conductive Free-Standing Biopolymers
AbstractBiopolymers are an attractive environmentally friendly alternative to common synthetic polymers, whereas primarily proteins and polysaccharides are the biomacromolecules that are used for making the biopolymer. Due to the breadth of side chains of such biomacromolecules capable of participating in hydrogen bonding, proteins and polysaccharide biopolymers were also used
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13 Feb 2023 • Journal Article • ChemPhysChem
Nucleus Independent Chemical Shift (NICS) at Small Distances from the Molecular Plain. The Effect of Electron Density
AbstractWhen close to the molecular plane, the behavior of NICS as a function of the distance from the molecular plane deviates from its behavior at larger distances. By using a dense grid of NICS-probes (BQs) it is shown that, when close to the molecular plane, maximal (absolute) NICS values are obtained above the atoms. These maxima move towards the center as the grid is
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1 Feb 2023 • Journal Article • Organometallics
Interplay of Charge and Aromaticity Upon Chemical Reduction of p-Quinquephenyl with Alkali Metals
AbstractChemical reduction study of a paraphenylene comprising five para-connected aromatic rings, namely, p-quinquephenyl (C30H22, 1), with alkali metals in THF revealed a facile formation of the doubly reduced anion, 12–, which was crystallized with different alkali metal counterions. Several products were characterized using single-crystal X-ray diffraction and spectroscopic
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1 Feb 2023 • Preprint • ChemRxiv
Lateral Charge Migration in 1D Semiconductor-Metal Hybrid Photocatalytic Systems
AbstractColloidal nanorods based on CdS or CdSe functionalized with metal particles have proven to be efficient catalysts for light driven hydrogen evolution. Seeded CdSe@CdS nanorods have shown increasing performance with increasing rod length. This observation was rationalized by the increasing lifetime of the separated charges, as a large distance between holes localized in
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27 Jan 2023 • Journal Article • Physical Chemistry Chemical Physics
Perspectives on weak interactions in complex materials at different length scales
AbstractNanocomposite materials consist of nanometer-sized quantum objects such as atoms, molecules, voids or nanoparticles embedded in a host material. These quantum objects can be exploited as a super-structure, which can be designed to create material properties targeted for specific applications. For electromagnetism, such targeted properties include field enhancements
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