Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"doi:10.18419/darus-1803DaRUS2021-05-041Schädel, Nicole, 2021, "Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"", https://doi.org/10.18419/darus-1803, DaRUS, V1, UNF:6:5F+vcHTYWzP6WFxNfehFGQ== [fileUNF]Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"doi:10.18419/darus-1803Schädel, Nicole358283783 - SFB 1333DaRUSLaschat, SabineKirchhof, Manuel2021-04-20Chemistryrotational barrierscarbamate-protected amineamine functionalized hydrogel linkerThis dataset includes the calculated energy barriers of the C‐N‐C‐O bond rotation in dependency of the angle (Computational Results) as well as the NMR spectra of all investigated compounds (NMR data).Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study
N. Schädel, J. Gebhardt, M. Löffler, D. Garnier, N. Hansen, S. Laschat, J. Phys. Org. Chem. 2019, 32, e3936.10.1002/poc.3936Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study
N. Schädel, J. Gebhardt, M. Löffler, D. Garnier, N. Hansen, S. Laschat, J. Phys. Org. Chem. 2019, 32, e3936.Figure_2_energy+barriers+of+the+C-N-C-O+rotation.tab723text/tab-separated-valuesUNF:6:5F+vcHTYWzP6WFxNfehFGQ==#angle [deg]-1.35104.64224768228176176.15.72.0-1.34999999999993950.0-178.85UNF:6:9O92pQJtS9IvWAjHhYwWdQ==energy [Ha]-595.42456937445830.0-595.4265917990001-595.432558079472.00.007269146045166438.-595.4071008744UNF:6:Eeduuaow6ODwVUZkcmkOgQ==energy [kJ mol-1]0.066.8378662702.19.0851356724398720.9743368355902815.664463223850.072.0UNF:6:GB4Nlf2NeryQdy23TEWtHQ==Figure_2_energy barriers of the C-N-C-O rotation.dattext/x-fixed-field10-VS.zipapplication/zip3-OH.zipapplication/zip3-VS.zipapplication/zip4-VS.zipapplication/zip6-AAm.zipapplication/zip6-NH2.zipapplication/zip6-NHTFA.zipapplication/zip7-AAm.zipapplication/zip9-OH.zipapplication/zip9-VS.zipapplication/zip