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Tuning PtII -Based Donor-Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and Photocatalysis.

ABSTRACT: Asymmetric platinum donor-acceptor complexes [(pimp)Pt(Q2- )] are presented in this work, in which pimp=[(2,4,6-trimethylphenylimino)methyl]pyridine and Q2- =catecholate-type donor ligands. The properties of the complexes are evaluated as a function of the donor ligands, and correlations are drawn among electrochemical, optical, and theoretical data. Special focus has been put on the spectroelectrochemical investigation of the complexes featuring sulfonyl-substituted phenylendiamide ligands, which show redox-induced linkage isomerism upon oxidation. Time-dependent density functional theory (TD-DFT) as well as electron flux density analysis have been employed to rationalize the optical spectra of the complexes and their reactivity. Compound 1 ([(pimp)Pt(Q2- )] with Q2- =3,5-di-tert-butylcatecholate) was shown to be an efficient photosensitizer for molecular oxygen and was subsequently employed in photochemical cross-dehydrogenative coupling (CDC) reactions. The results thus display new avenues for donor-acceptor systems, including their role as photocatalysts for organic transformations, and the possibility to introduce redox-induced linkage isomerism in these compounds through the use of sulfonamide substituents on the donor ligands.

SUBMITTER: Sobottka S

PROVIDER: S-EPMC7027812 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature

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Tuning PtII -Based Donor-Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and Photocatalysis.

Sobottka Sebastian S Nößler Maite M Ostericher Andrew L AL Hermann Gunter G Subat Noah Z NZ Beerhues Julia J Behr-van der Meer Margarethe M Suntrup Lisa L Albold Uta U Hohloch Stephan S Tremblay Jean Christophe JC Sarkar Biprajit B

Chemistry (Weinheim an der Bergstrasse, Germany) 20200122 6

Asymmetric platinum donor-acceptor complexes [(pimp)Pt(Q2- )] are presented in this work, in which pimp=[(2,4,6-trimethylphenylimino)methyl]pyridine and Q2- =catecholate-type donor ligands. The properties of the complexes are evaluated as a function of the donor ligands, and correlations are drawn among electrochemical, optical, and theoretical data. Special focus has been put on the spectroelectrochemical investigation of the complexes featuring sulfonyl-substituted phenyl ...[more]

PMID: 31778594

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Project description:Coal mining has led to increasingly serious land subsidence, and the reclamation of the subsided land has become a hot topic of concern for governments and scholars. Soil quality of reclaimed land is the key indicator to the evaluation of the reclamation effect; hence, rapid monitoring and evaluation of reclaimed land is of great significance. Visible-near infrared (Vis-NIR) spectroscopy has been shown to be a rapid, timely and efficient tool for the prediction of soil organic carbon (SOC). In this study, 104 soil samples were collected from the Baodian mining area of Shandong province. Vis-NIR reflectance spectra and soil organic carbon content were then measured under laboratory conditions. The spectral data were first denoised using the Savitzky-Golay (SG) convolution smoothing method or the multiple scattering correction (MSC) method, after which the spectral reflectance (R) was subjected to reciprocal, reciprocal logarithm and differential transformations to improve spectral sensitivity. Finally, regression models for estimating the SOC content by the spectral data were constructed using partial least squares regression (PLSR). The results showed that: (1) The SOC content in the mining area was generally low (at the below-average level) and exhibited great variability. (2) The spectral reflectance increased with the decrease of soil organic carbon content. In addition, the sensitivity of the spectrum to the change in SOC content, especially that in the near-infrared band of the original reflectance, decreased when the SOC content was low. (3) The modeling results performed best when the spectral reflectance was preprocessed by Savitzky-Golay (SG) smoothing coupled with multiple scattering correction (MSC) and first-order differential transformation (modeling R2 = 0.86, RMSE = 2.00 g/kg, verification R2 = 0.78, RMSE = 1.81 g/kg, and RPD = 2.69). In addition, the first-order differential of R combined with SG, MSC with R, SG together with MSC and R also produced better modeling results than other pretreatment combinations. Vis-NIR modeling with specific spectral preprocessing methods could predict SOC content effectively.

Dataset Information

Tuning PtII -Based Donor-Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and Photocatalysis.

Publications

Tuning Pt<sup>II</sup> -Based Donor-Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and Photocatalysis.

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