NMR Data for Ligands and Complexes
DOI: 10.14469/hpc/6757 Metadata
Created: 2020-02-05 15:34
Last modified: 2021-03-06 06:36
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Co-author: Charles ROMAIN
Description
NMR Data for Ligands and Complexes
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Files
| Filename | Size | Type | Description |
|---|---|---|---|
| (R,R)-mix2 (C6D6).mnova | 206KB | chemical/x-mnova | H NMR spectrum of (R,R)-mix2 in C6D6 |
| (R,R)-mix2 (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for (R,R)-mix2 (C6D6).mnova |
| (S,S)-mix2 (C6D6).mnova | 209KB | chemical/x-mnova | H NMR spectrum of (S,S)-mix2 in C6D6 |
| (S,S)-mix2 (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for (S,S)-mix2 (C6D6).mnova |
| rac-mix2 (C6D6).mnova | 208KB | chemical/x-mnova | H NMR spectrum of rac-mix2 in C6D6 |
| rac-mix2 (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-mix2 (C6D6).mnova |
| rac-2 Full Set (CD2Cl2).mnova | 4MB | chemical/x-mnova | Full NMR set (H, C, DEPT 135, DEPT 90, COSY, HSQC, HMBC) of rac-2 in CD2Cl2 |
| rac-2 Full Set (CD2Cl2).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-2 Full Set (CD2Cl2).mnova |
| (R,R)-mix2 + (S,S)-mix2 (C6D6).mnova | 622KB | chemical/x-mnova | H spectrum of (R,R)-mix2 + (S,S)-mix2 at room temperature in C6D6; H spectrum of (R,R)-mix2 + (S,S)-mix2 in C6D6 after heating at 80 C for 16h; H NMR spectrum of rac-2 in C6D6 |
| (R,R)-mix2 + (S,S)-mix2 (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for (R,R)-mix2 + (S,S)-mix2 (C6D6).mnova |
| rac-H2HL Full Set (CDCl3).mnova | 4MB | chemical/x-mnova | Full NMR set (H, C, DEPT 135, DEPT 90, COSY, HSQC, HMBC) of rac-H2HL in CDCl3 |
| rac-H2HL Full Set (CDCl3).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-H2HL Full Set (CDCl3).mnova |
| Enantiopure H2HL Ligands (CDCl3).mnova | 412KB | chemical/x-mnova | H NMR spectra of enantiopure ligands (R,R)-H2HL and (S,S)-H2HL in CDCl3 |
| Enantiopure H2HL Ligands (CDCl3).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for Enantiopure H2HL Ligands (CDCl3).mnova |
| rac-1 Full Set (C6D6).mnova | 4MB | chemical/x-mnova | Full NMR set (H, C, DEPT 135, DEPT 90, COSY, HSQC, HMBC) of rac-1 in C6D6 |
| rac-1 Full Set (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-1 Full Set (C6D6).mnova |
| Enantiopure Complexes 1 (C6D6).mnova | 412KB | chemical/x-mnova | H NMR spectra of enantiopure complexes (R,R)-1 and (S,S)-1 in C6D6 |
| Enantiopure Complexes 1 (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for Enantiopure Complexes 1 (C6D6).mnova |
| rac-1 DOSY (C6D6).zip | 6MB | application/zip | DOSY NMR spectrum of rac-1 in C6D6 |
| rac-1 DOSY (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-1 DOSY (C6D6).zip |
| (S,S)-mix2 DOSY (C6D6).zip | 7MB | application/zip | DOSY NMR spectrum of (S,S)-mix2 in C6D6 |
| (S,S)-mix2 DOSY (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for (S,S)-mix2 DOSY (C6D6).zip |
| rac-2 DOSY (C6D6).zip | 6MB | application/zip | DOSY NMR spectrum of rac-2 in C6D6 |
| rac-2 DOSY (C6D6).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-2 DOSY (C6D6).zip |
| rac-2 DOSY (THF-d8).zip | 6MB | application/zip | DOSY NMR spectrum of rac-2 in THF-d8 |
| rac-2 DOSY (THF-d8).mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for rac-2 DOSY (THF-d8).zip |
| all.csv | 6MB | text/csv | NMR data exported as csv file |
| rac-ligand.cdxml | 9KB | chemical/x-cdxml | Structure of rac-H2HL |
| RR-1.cdxml | 12KB | chemical/x-cdxml | Structure of (R,R)-1 |
| RR-ligand.cdxml | 12KB | chemical/x-cdxml | Structure of (R,R)-H2HL |
| SS-1.cdxml | 12KB | chemical/x-cdxml | Structure of (S,S)-1 |
| SS-ligand.cdxml | 10KB | chemical/x-cdxml | Structure of (S,S)-H2HL |
| all.csv | 6MB | text/csv | NMR data exported as csv file. No blank spaces. |
| index.html | 5KB | text/html | Visualisation of NMR data |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/6491 | Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity using Chiral Aluminium Catalysts in Cyclic Ester Ring-Opening Polymerization. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C5H12.18CH4.2H3N.2H2O/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h1-4H3;18*1H4;2*1H3;2*1H2 |
| inchikey | GGCSKCMCWHFJPM-UHFFFAOYSA-N |