Transition states for deprotonation of 6-nitro-1,3-dimethylindolin-2-one.
DOI: 10.14469/hpc/209 Metadata
Created: 2016-01-14 09:47
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
KIE calculated using the B3LYP+D3/Def2-TZVPP/SCRF=water method
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 6-nitro-dimethylindolinone-TS.log | 340KB | chemical/x-gaussian-log | Gaussian calculation files |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/200 | Mechanism and kinetic isotope effects for the ionisation of indolinones. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C10H10N2O3.Na.5H2O/c1-6-8-4-3-7(12(14)15)5-9(8)11(2)10(6)13;;;;;;/h3-6H,1-2H3;;5*1H2/q;+1;;;;;/p-1/t6-;;;;;;/m1....../s1 |
| inchikey | UJVDLOLHWVMDNP-KGSJKMRISA-M |