Readme for the documentation of scientific data sets

Author Readme:				Ofial; Armin

Date of creation Readme:		2025-12-29
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Title of the scientific data set:	Kinetic measurements used to determine the nucleophilicity of alpha-aryl vinyl azides

Version:				1.0

Contact:				Ofial, Armin; Dept. Chemistry, LMU Muenchen, Germany; ofial@lmu.de

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Author 1 of scientific data set:	Thiruvengetam; Prabaharan
Author 1 Identifier:			https://orcid.org/0000-0003-3845-8490
Author 1 Affiliation:			Dept. Chemistry, LMU Muenchen, Germany
Author 1 Contribution:			Researcher, DataCurator

Author 2 of scientific data set:	Gross; Christoph
Author 2 Identifier:			https://orcid.org/0009-0009-1118-2368
Author 2 Affiliation:			Dept. Chemistry, LMU Muenchen, Germany
Author 2 Contribution:			Researcher, DataCurator

Author 3 of scientific data set:	Ofial; Armin R.
Author 3 Identifier:			https://orcid.org/0000-0002-9600-2793
Author 3 Affiliation::			Dept. Chemistry, LMU Muenchen, Germany
Author 3 Contribution:			ContactPerson, ProjectLeader, DataCurator

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Project name:				Nucleophilicity of alpha-aryl vinyl azides

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Abstract:				The kinetics of vinyl azide reactions with benzhydrylium ions were investigated photometrically in dichloromethane and in the biorenewable solvent Cyrene(TM) [= dihydrolevoglucosenone] at 293.15 K. 
					Folder and file names PTxxx and CGxxx refer to individual experiments and are identical to those in the Supporting Information files "OpenData_SI_VinylAzides.docx/pdf/rtf".

Keywords:				kinetics, reactivity, nucleophiles, time-resolved spectroscopy

Methods for data collection: 		time-dependent photometric measurements, NMR and IR spectroscopy, HRMS measurements
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File list:				The zip file contains 
					(1) a folder "kinetics" which contains txt files with absorbance vs. time data; exp files used for the k(obs) determination; pdf files with results of the k(obs) determination;
					(2) a folder "products" which contains the data of the spectroscopic product characterization (that is, files generated during data acquisition of NMR and IR spectra) and pdf copies of HRMS measurements.  

File formats: 				*.txt (raw data), *.exp (evaluated data), *.pdf (evaluated data, Supporting Information), *.docx (Supporting Information), *.rtf (Supporting Information), various unspecified file formats from spectroscopic data acquisition.

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Remarks: 				This project has received funding from the European Union's Horizon Europe research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 101106557 "ResolveByBio" (MSCA-2022-PF to P.T.).
					C.G. and A.R.O. thank the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - project number 530072453 (OF 120/3-1) - for financial support.