Readme for the documentation of scientific data sets

Author Readme:				Ofial; Armin

Date of creation Readme:		2025-09-24
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Title of the scientific data set:	Kinetic measurements used to determine the nucleophilicity of 2-methylene-1,2-dihydropyridines (2-pyNHOs)

Version:				1.0

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

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Author 1 of scientific data set:	Behnke; Annika
Author 1 Identifier:			https://orcid.org/0000-0001-5857-3512
Author 1 Affiliation:			Fakultaet fuer Chemie und Chemische Biologie, Technische Universitaet Dortmund, Germany
Author 1 Contribution:			Researcher, DataCurator

Author 2 of scientific data set:	Andreas; Eitzinger
Author 2 Identifier:			https://orcid.org/0000-0002-3231-9716
Author 2 Affiliation:			Dept. Chemistry, LMU Muenchen, Germany
Author 2 Contribution:			Researcher, DataCurator

Author 3 of scientific data set:	Hansmann, Max M.
Author 3 Identifier:			https://orcid.org/0000-0003-3107-1445
Author 3 Affiliation:			Fakultaet fuer Chemie und Chemische Biologie, Technische Universitaet Dortmund, Germany
Author 3 Contribution:			ProjectLeader

Author 4 of scientific data set:	Ofial; Armin R.
Author 4 Identifier:			https://orcid.org/0000-0002-9600-2793
Author 4 Affiliation:			Dept. Chemistry, LMU Muenchen, Germany
Author 4 Contribution:			ContactPerson, ProjectLeader, DataCurator

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Project name:				Nucleophilicity of 2-methylene-1,2-dihydropyridines (2-pyNHOs)

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Abstract:				The kinetics of 2-pyNHO reactions with electrophiles were investigated photometrically in four organic solvents at 293.15 K.
					Main folders refer to the solvents used for the kinetic measurements (that is, DMSO, MeCN, DCM, and THF).
 					Subfolders and file names AB-xx and AEM-xxx refer to individual experiments and are identical to those in the Supporting Information files "OpenData_SI_2-pyNHO_kinetics.docx/pdf/rtf".
					This Supplemental Material is part of an article published in the European Journal of Organic Chemistry (doi.org/10.1002/ejoc.202400373).

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

Methods for data collection: 		time-dependent photometric measurements
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File list:				The zip file 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; *.xlsx (MS Excel) with experimental details (concentrations, volumes, wavelengths, in German)

File formats: 				*.txt (raw data), *.exp (evaluated data), *.xlsx (protocol data), *.pdf (evaluated data, Supporting Information), *.docx (Supporting Information), *.rtf (Supporting Information)

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Remarks: 				We thank the Deutsche Forschungsgemeinschaft (NMR: DFG project 452669591) under Germany's Excellence Strategy EXC2033, project number 390677874-RESOLV. 
					Funded/Co-funded by the European Union (ERC, CC-CHARGED, 101077332).
					This research was funded in whole, or in part, by the Austrian Science Fund (FWF), project no. J-4592 (Erwin Schroedinger fellowship to A.E., Grant-DOI: 10.55776/J4592).