Allosteric control of olefin isomerization kinetics via remote metal binding and its mechanochemical analysis

Archived Data

File Òcomputational outputÓ contains cartesian coordinates of all calculated reactants and transition states of the isomerization reactions.

File Òkinetic dataÓ contains tabulated concentration versus time data for all ligands, with and without metal.  

Folder ÒspectraÓ contains all associated 31P NMR raw data files used for kinetic analysis, which are grouped according to experiment as follows: (S,R)-E(2,2)_69C,74C,78C,84C; [(S,R)-E(2,2)]PtCl2_-10C,-5C,-1,2C,6C; (S,R)-E(2,3)_123C,127C,130C,135C,140C; [(S,R)-E(2,3)]PtCl2_65C,67C,71C,75C,80C; (S,R)-E(3,3)_128C; (S,R)-E(3,3)PtCl2_121C; (S,S)-E(3,3)_131C; (S,S)-E(3,3)PtCl2_125C.  The time point associated with each spectrum is given in the spread sheet.

For the paper, NMR spectra were processed using Mnova 14.3.1 from Mestrelab.