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On using DFT to construct an IR spectrum database for PFAS molecules
PFAS molecules are chain-linked carbon/fluorine atoms, widely distributed in the environment, and dangerously toxic biologically. Here is...
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Machine learning prediction of organic moieties from the IR spectra, enhanced by additionally using the derivative IR data
AbstractInfrared spectroscopy is a crucial analytical tool in organic chemistry, but interpreting IR data can be challenging. This study provides a...
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Structure and Electrocatalytical Properties of Electrodeposited M-Ir (M = Co, Ni) Bimetallic Alloy Catalysts with Low Ir Loading Obtained on Copper Foams for Hydrogen Evolution Reaction
M-iridium (M = cobalt (Co), nickel (Ni)) bimetallic alloy catalysts with low iridium (Ir) loading of 0.3–2.0 mg·cm −2 were prepared on copper foam...
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Investigation of Mechanical Properties and Structure of Irradiated Basalt Composites Using IR Spectrometry
AbstractThe work is concerned with the study of a relatively new prospective composite material based on basalt fibers. In this work, an attempt has...
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Structure-property relationships of photofunctional diiridium(II) complexes with tetracationic charge and an unsupported Ir–Ir bond
In contrast to the extensively studied dirhodium(II) complexes and iridium(III) complexes, neutral or dicationic dinuclear iridium(II) complexes with...
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Hydrothermal synthesis of Ir and Ir—Pd nanoparticles on carbon nanotubes
A technique for the formation of Ir and Ir—Pd nanoparticles on carbon nanotubes (CNTs) under hydrothermal conditions was proposed. Reduction of...
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Bis-cyclometalated Ir(III) complexes with carbazole/triphenylamine donor fragment for oxygen sensing
Bis-cyclometalated Ir(III) complexes Ir(ppy-Carbazole) 2 (acac) and Ir(ppy-NPh 3 ) 2 (acac) (acac = acetylacetonate) based on the 2-phenylpyridine (ppy)...
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Selective control of secondary alcohols upgrading using Ir-catalyzed cross-coupling strategy
The selective coupling of alcohols is a fascinating yet challenging approach for upgrading alcohols. Herein, we accomplished the controlled...
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Thermal Decomposition of [Ir(NH3)6][Fe(CN)6] in Various Atmospheres; Crystal Structures of [Ir(NH3)6][Fe(CN)6] and [Ir(NH3)6]
X 3 (X = Cl, Br)AbstractA new double complex salt [Ir(NH 3 ) 6 ][Fe(CN) 6 ] is synthesized and structurally characterized. The crystal structures of [Ir(NH 3 ) 6 ]Cl 3 and...
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STRUCTURAL ISOMERS AND VIBRATIONAL SPECTRUM OF TETRAFLUOROSUBSTITUTED ZINC PHTHALOCYANINE
AbstractStructural parameters and relative Gibbs free energies are calculated by density functional theory methods for four tetrafluoro derivatives...
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Applications of Fourier-Transform IR Spectroscopy to Comprehensive Analysis of Sedimentary Rocks
AbstractPossibilities of Fourier-transform IR spectroscopy and Fourier-transform IR microscopy with for the structural group and distribution...
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Photophysical and Photochemical Properties of Perylene–(Cyanine Dye) Dyad in the VIS–NIR Spectrum Region
AbstractThe photophysical properties of an original covalently-bonded dyad based on a perylene derivative and IR-780 cyanine dye were studied. The...
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Effects of Instrumental Configuration, Sample Preparation, and Pretreatment on the IR spectra of Silicalite-1
Infrared spectroscopy (IR) is an important tool to investigate the structure of silicalite-1, but the reported spectra vary considerably depending on...
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Optimizing neurotransmitter pathway detection by IR-MALDESI-MSI in mouse brain
Mass spectrometry imaging (MSI) platforms such as infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) are advantageous for...
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Estimation of the Mechanical Properties of Poly(3-hydroxybutyrate) from IR Data
Despite the sustainability, biodegradability, and biocompatibility of microbial polyesters, as well as their potential to replace polyolefins, the...
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Modulation in the electronic structure of Ir-rich shell on AuIr solid solution as OER electrocatalyst for PEM electrolyzer
The design of low-cost and high-performance anodic electrocatalyst is essential in proton exchange membrane water electrolysis (PEMWE) application....
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Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble
Leucine enkephalin (LeuEnk), a biologically active endogenous opioid pentapeptide, has been under intense investigation because it is small enough to...
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Determining the Yield of Coking Products from the IR Spectra of the Coal
The yield of coking products may be estimated on the basis of the IR spectra of the coal in the batch. The spectra are converted to set of additive...
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Core–Clad High-Purity Rare-Earth-Doped Chalcogenide Glass Fibers as IR Light Sources
Abstract —This paper presents results of investigation of core–clad optical fibers based on rare-earth-doped multicomponent chalcogenide glasses of...
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Chloro(4-methylpent-3-en-1-ynyl)carbene: IR spectrum, structure, photochemical transformations, and reactions with alkenes
A comprehensive study of previously unknown chloro(4-methylpent-3-en-1-ynyl)carbene generated by photolysis of newly synthesized...