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21 results for “alkenes”
Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis
<p><strong>Origin of the data: </strong>Experimental spectroscopic measurements<br> <strong>Data Type: </strong>experimental measurements, open access supporting information</p> <p>The data are in CSV, DSW and FBSW format. Supporting information are supplied in PDF format.</p> <p>Data <strong>generated </strong>by instruments: </p> <p>Varian Cary 5E-UV-Vis-NIR spectrophotometer for UV-Vis measurements,<br> Varian Cary Eclipse fluorescence spectrophotomer for fluorescence quenching measurements.</p> <p><strong>Analytical and procedural information: </strong>Stern-Volmer fluorescence quenching experiments, UV-Vis measurements and Fluorescent Quantum Yield determination via ferrioxalate actinometry.</p> <p><strong>Definition of variables: </strong>Wavelength, Absorbance, Concentration<br> <strong>Units of measurement: </strong>nanometers (nm), moles-per-litre (mol/l)</p> <p><strong>Abbreviations: </strong><br> File names and data headers use the following abbreviations:</p> <ul> <li><strong>FQY </strong>refers to Fluorescence Quantum Yield determination experiments</li> <li><strong>Light </strong>refers to irradiated samples in the actinometry experiment, as detailed in the procedure in the supporting information.</li> <li><strong>Dark </strong>refers to non-irradiated samples in the actinometry experiment, as detailed in the procedure in the supporting information.</li> <li><strong>SVQuench </strong>refers to Stern-Volmer quenching experiments</li> <li><strong>RAxx </strong>refer to measurements related to allylbenzene. <strong>Xx </strong>is the amount of quencher in mol/l (05 should be intended as 0.5 mol/l and so on).</li> <li><strong>RTxx </strong>refer to measurements related to <em>S</em>-(4-methylphenyl) 4-methylbenzenethiosulfonate. <strong>Xx </strong>is the amount of quencher in mol/l as above.</li> <li><strong>RExx </strong>refer to measurements related to 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene. <strong>Xx </strong>is the amount of quencher in mol/l as above.</li> <li><strong>RSxx </strong>refer to measurements related to styrene. <strong>Xx </strong>is the amount of quencher in mol/l.</li> <li><strong>RTFxx </strong>refer to measurements related to <em>S</em>-(4-fluorophenyl) 4-fluorobenzenethiosulfonate. <strong>Xx </strong>is the amount of quencher in mol/l as above.</li> <li><strong>MesAcrMe Xx </strong>refers to data related to catalyst 9-mesityl-10-methylacridinium. <strong>Xx </strong>is the amount of catalyst in mol/l as above.</li> <li><strong>DMC </strong>for measurements employing dimethylcarbonate as solvent.</li> <li><strong>ACN </strong>for measurements employing acetonitrile as solvent.</li> </ul>
Characterization data - Direct and Stereospecific [3+2] Synthesis of Pyrrolidines from Simple Unactivated Alkenes
<p><strong>Primary data of all the new compounds reported in the publication </strong>DOI:10.1002/anie.201706682</p> <p>NMR FID files</p> <p>HRMS data</p>
Heterogenized Molecular Rhodium Phosphine Catalysts within Metal–Organic Frameworks for Alkene Hydroformylation
<p>Supplementary information for associated publication</p>
Raw NMR and GC reports for the article Electrochemical Hydrogenation of Alkenes over a Nickel Foam Guided by Life Cycle, Safety and Toxicological Assessments, Green Chemistry, doi: https://doi.org/10.1039/D4GC02924K
<p>Raw NMR for the article Electrochemical Hydrogenation of Alkenes over a Nickel Foam Guided by Life Cycle, Safety and Toxicological Assessments, Green Chemistry, doi: https://doi.org/10.1039/D4GC02924K</p> <p>The raw NMR data files for all compounds reported in the article are included. The numbering corresponds to those in the article.</p> <p>Each parent folder contains subfolders with different files. In order to process this data, the full parent folder must be dragged into either Mestrenova or Topspin and then the data is automatically processed. If the name of the raw data files are renamed, the software (<a href="https://mestrelab.com/" target="_blank" rel="noopener noreferrer">Mestrenova</a> or <a href="https://www.bruker.com/en/products-and-solutions/mr/nmr-software/topspin.html" target="_blank" rel="noopener noreferrer">Topspin</a>) will not be able to process the files</p> <p> </p>
Raw data for the article " Pd(II)-Catalyzed Aminoacetoxylation of Alkenes via Tether Formation"
<p>Raw NMR and MS data for the article "Pd(II)-Catalyzed Aminoacetoxylation of Alkenes via Tether Formation" published in Organic Letters, DOI: </p> <p><a href="https://doi.org/10.1021/acs.orglett.2c01838">https://doi.org/10.1021/acs.orglett.2c01838</a></p> <p>The number of the folders correspond to compounds numbers in the article. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
Artificial Metalloenzyme-Catalyzed Enantioselective Carboamination of Alkenes
<p>Data underlying the figures/tables in the publication "Artificial Metalloenzyme-Catalyzed Enantioselective Carboamination of Alkenes" published in ChemCatChem doi.org/10.1002/cctc.202400365</p> <div>The files correspond to the figures in the publication as follows:</div> <div>Fig 1a, Table S2 -> MODDE_test/DoE_Rh.*</div> <div>Fig 1b, Table S3 -> Measurement_1st_neutral.xlsx</div> <div>Fig 3, Table S4 -> Measurement_2nd_AcOH.xlsx</div> <div>DoE program and results -> DoE_program/DoE_byGaussianOptimization.ipynb, DoE_Exp_Table_1st_neutral.csv, DoE_Exp_Table_2nd_AcOH.csv</div>
Quantum calculation results for "Automatically Generated Model for Light Alkene Combustion"
<p>This repository contains the quantum calculation results associated with the paper "Automatically Generated Model for Light Alkene Combustion" by Gianmaria Pio, Xiaorui Dong, Ernesto Salzano, and William H. Green.</p> <p>In the alkene_qm_data.zip, files are organized according to species. For each species, CBS-QB3 calculation is stored in the 'composite' folder, frequency calculation is stored in the 'freq' folder, and scan jobs for torsional modes (if available) are stored in the 'scan_XXXX' folders.</p> <p> </p>
Raw data for the article "Synthesis of Trifluoromethylated Alkenes: Hypervalent Iodine Meets High-Valent Copper"
<p>Raw NMR, IR and MS data for the article "Synthesis of Trifluoromethylated Alkenes: Hypervalent Iodine Meets High-Valent Copper" published in Angewandte Chemie, DOI: </p> <p><a href="https://doi.org/10.1002/anie.202306128">https://doi.org/10.1002/anie.202306128</a></p> <p>The number of the folders either correspond to compounds numbers in the article or the name of the folder is self-describing. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
Tetrafluorenofulvalene as a Sterically Frustrated Open-Shell Alkene
<ul> <li>Cartesian coordinates of calculated structures</li> <li>Source data for Fig. 4 and Supplementary Fig. 12, 16–18, and 21</li> </ul>
Raw data for article "Iron-catalyzed synthesis of α-azido α-amino esters via the alkylazidation of alkenes"
<p>Raw NMR, IR and MS data for the article "Iron-catalyzed synthesis of α-azido α-amino esters via alkylazidation of alkenes" published in <em>Org. Lett.</em></p> <p>The number of the folders either correspond to compounds numbers in the article or the name of the folder is self-describing. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p> <p> </p>
Raw data for article "Photocatalytic Umpolung of N- and O- Substituted Alkenes for the Synthesis of 1,2-Amino Alcohols and Diols"
<p>Raw data for NMR, MS and IR data of the article Photocatalytic Umpolung of N- and O- Substituted Alkenes for the Synthesis of 1,2-Amino Alcohols and Diols published in Chemical Science DOI: 10.1039/D0SC03655B</p> <p>https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC03655B#!divAbstract</p> <p>The number of the folders correspond to compounds numbers in the article. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
Kinetically controlled Z-alkene synthesis using iron-catalysed allene dialkylation
<p><span>This folder contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper</span></p> <p><span>"Kinetically controlled Z-selective catalytic allene dialkylation"</span></p> <p><span>Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...</span></p>
Methoxide-Enabled Zirconium-Catalyzed Migratory Alkene Hydrosilylation
<p>Original NMR data files. Orca input and output files.</p>
Raw data for the article " Azido-Alkynylation of Alkenes Through Radical-Polar Crossover "
<p>Raw NMR, IR and MS data for the article "Azido-Alkynylation of Alkenes Through Radical-Polar Crossover" published in Chemical Science, DOI: </p> <p><a href="https://doi.org/10.1039/D3SC03309K">https://doi.org/10.1039/D3SC03309K</a></p> <p> </p> <p>The number of the folders either correspond to compounds numbers in the article or the name of the folder is self-describing. All details concerning conditions and equipment for measurements can be found in the supporting information of the article. For convenience, the word file version of article and SI can be found on the top of the raw data folder.</p>
Fig. 2 in Long-chain alkenes and alkadienes of eight lichen species collected in Japan
Fig. 2. Mass spectra of 1,8-heptadecadiene (1), 6,9-heptadecadiene (2), 8-heptadecene (3), 7-heptadecene (4), 1-heptadecene (5), 3-heptadecene (6), 1-octadecene (7), 4-octadecene (8), 5-nonadecene (9), and 6-eicosene (10) from lichens and mass spectra of their DMDS adducts.
Fig. 2 in Long-chain alkenes and alkadienes of eight lichen species collected in Japan
Fig. 2. (continued).
Fig. 1 in Long-chain alkenes and alkadienes of eight lichen species collected in Japan
Fig. 1. Fragmentation scheme for the formation of DMDS adducts
Fig. 3 in Long-chain alkenes and alkadienes of eight lichen species collected in Japan
Fig. 3. Compositions of alkenes in lichen samples.
Fig. 2 in Long-chain alkenes and alkadienes of eight lichen species collected in Japan
Fig. 2. (continued).
Data from: DualPhos: a versatile, chemoselective reagent for two-carbon aldehyde to latent (E)-alkenal homologation and application in the total synthesis of phomolide G
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