Notes

Functionality and also Area Behavior associated with NDI Chromophores Attached to any Tripodal Scaffolding: In direction of Self-Decoupled Chromophores for Single-Molecule Electroluminescence.
This TdT-based signal amplification method coupled with SDA exhibits extraordinary sensitivity for Hg2+ assay with a limit down to 1.0 aM. The proposed highly sensitive fluorescence strategy holds great potential for detecting targets in environmental and biological fields.Two mononuclear Ru(ii) complexes, i.e. [RuCl(κ3N-terpy)(κ2N-dpp)]PF6 ([1]PF6; terpy = 2,2'6',2''-terpyridine; dpp = 2,3-bis(2'-pyridyl-pyrazine) and [RuCl(κ3N-tpm)(κ2N-dpp)]Cl ([2]Cl; tpm = tris(1-pyrazolyl)methane), and one dinuclear complex, i.e. [Ru2Cl(κ3N-tpm)(μ-κ2Nκ2N-dpp)Ru(κ2N-bpy)2][PF6]3 ([3][PF6]3; bpy = 2,2'-bipyridine), have been synthesized and their water oxidation catalytic properties have been investigated. A combined DFT and experimental (35Cl NMR and conductivity measurements) study aimed to elucidate the nature of [1]+ and [2]+ in aqueous solution has also been performed, indicating that one water molecule is allowed to enter the first coordination sphere of [2]+ in the ground state, replacing one tpm nitrogen. Conversely, in the case of [1]+, water coordination, assumed to be needed for the water oxidation process, presumably occurs following the oxidation of the metal. For all complexes, a catalytic wave has been detected in acetonitrile/water 1  1 (v/v) solution in the range 1.4-1.7 V vs. SCE. In all cases, water oxidation (investigated at pH less then 8) takes place initially via a proton-coupled two-electron, two-proton process with the formation of an Ru(iv)[double bond, length as m-dash]O moiety, followed by one electron oxidation and water nucleophilic attack. The TON and TOF values (within the range of 16-33 and 1.3-2.2 h-1, respectively) of the complexes are higher than those of the benchmark [Ru(LLL)(LL)(OH2)]2+-type species (LLL and LL are tridentate and bidentate polypyridine ligands, respectively), which is [Ru(terpy)(bpm)(OH2)]2+.Plasmonic nanostructures such as gold and silver could alter the intrinsic properties of fluorophores, photosensitizers or Raman reporters in their close vicinity. In this study, we have conducted systematic simulations to provide insight for the design of silver nanostructures with appropriate geometrical features for metal-enhanced fluorescence (MEF), metal-enhanced singlet oxygen generation (ME-SOG) and surface-enhanced Raman scattering (SERS) applications. The size-dependent optical properties and electric field enhancement of single and dimeric nanocubes were simulated. The extinction spectra of silver nanocubes were analysed by the multipole expansion method. Results show that a suitable size of Ag nanocubes for MEF and ME-SOG can be selected based on their maximum light scattering yield, the excitation and emission wavelengths of a particular fluorophore/photosensitizer and their maximum spectral overlap. Simulations of the 'hot-spot' or gap distance between two silver nanocubes with different configurations (i.e., face-to-face, edge-to-edge and corner-to-corner) were also performed. A direct correlation was found between the size and enhanced electric field around the Ag nanocubes simulated under 15 common Raman laser wavelengths from the UV to near-infrared region. The maximum SERS enhancement factor can be achieved by selecting the silver nanocubes with the right orientation, suitable edge length and gap distance that give the highest electric field at a specific Raman laser wavelength. It was also found that the higher order of silver nanostructures, e.g., trimer and tetramer, can lead to better enhancement effects. These simulation results can serve as generic guidelines to rationally design metal-enhancement systems including MEF, ME-SOG and SERS for different application needs without cumbersome optimization and tedious trial-and-error experimentation.Although photoreaction quantum yields of photoswitches determine their switching efficiency, the rates of those reactions are essential parameters because they can establish the eventual temporal resolution of the device using the switch. 1,2-Bis(3,5-dimethylthiophen-2-yl)hexafluorocyclopentene (DMT) features efficient photochromic reactions of both ring-opening and closure and a markedly short time constant of the ring-opening reaction. We have found that the latter is due to the fact that the electronic relaxation from the S1 state of the closed-ring isomer of DMT occurs through a single dissipation channel, leading to a conical intersection in which the DMT molecule possesses open-ring-like geometry.Halogen bonding, an attractive interaction that is analogous to hydrogen bonding, has been widely investigated by computational methods. However, halogen bonding in solution is hard to study by spectroscopic techniques since the intermolecular interaction often gives overlapping bands and may be difficult to interpret. The traditional interpretation of iodomethane-ethanol mixtures considered only hydrogen bonding effects and the experimental investigation was limited. Here, we employed near-infrared (NIR) spectroscopy, Raman, density functional theory calculation, and two-dimensional (2D) correlation analysis to find evidence of the halogen bonding in iodomethane-ethanol mixtures. Our results suggest that the blue-shifting C-I stretching band is probably due to the cooperative influence from halogen bonding, hydrogen bonding, and the solvent effect, while the O-H band is a cumulative band from three dimer complexes. The 2D correlation spectra further validate the hypothesis above and reveal the interaction evolution from the ethanol-rich region to the iodomethane region. Eganelisib These results indicate that the unique nature of the iodomethane-ethanol mixture and the larger σ-hole strengthen the halogen bond, leading to particular spectroscopic results which are different from those of the other halogenated alkanes.The metal complex (Zr(CH3)4(THF)2) has been fully synthesized, characterized and grafted onto partially dehydroxylated silica to give two surface species [([triple bond, length as m-dash]Si-O-)Zr(CH3)3(THF)2] (minor) and [([triple bond, length as m-dash]Si-O-)2Zr(CH3)2(THF)2] (major) which have been characterized by SS NMR, IR, and elemental analysis. These supported pre-catalysts exhibit the best conversion of CO2 to cyclic carbonates, as compared to the previously reported SOMC catalysts.
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