Data of B3 group for: "Determination of Accessibility and Spatial Distribution of Chiral Rh Diene Complexes Immobilized on SBA-15 via Phosphine‑based NMR Probe Molecules"

Version 1.0
Data of B3 group for: "Determination of Accessibility and Spatial Distribution of Chiral Rh Diene Complexes Immobilized on SBA-15 via Phosphine‑based NMR Probe Molecules"
Kirchhof, Manuel, 2022, "Data of B3 group for: "Determination of Accessibility and Spatial Distribution of Chiral Rh Diene Complexes Immobilized on SBA-15 via Phosphine‑based NMR Probe Molecules"", https://doi.org/10.18419/darus-3272, DaRUS, V1
Learn about Data Citation Standards.
Contact Owner Share
Dataset Metrics
155 Downloads
Description
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared catalysts and catalysis products (NMR) are included. The described 1,2-addition product is an N-tosyl amide which was formed from the reaction of triphenylboroxine with an N-tosyl imine. The catalysts are the chiral Rh norbornadiene phosphine complexes [RhCl(L1)(P(Ad)2(n-Bu))] and [RhCl(L1)(PPh3)]. Furthermore, the NMR data of phosphine complexation experiments is deposited. This data was collected to screen for suitable phosphines for the later quantification of accessible Rh diene complexes on SBA-15 via solid state NMR. Crystallographic data was published in Cambridge Structural Database (CSD) of the Cambridge Crystallographic Data Centre (CCDC) as stated under related datasets. In this dataset additional data from the crystal structure of [RhCl(L1)(P(Ad)2(n-Bu))] is included (plotted structure, CIF file, PDB file, RES file and a DAT file with tables listing all the significant measuring parameters, bond angles, bond distances and atom coordinates). (2022-11-22)
Subject Chemistry
Keyword Asymmetric Catalysis, Rhodium Catalysis, Diene Ligands, Confinement, Phosphine, Probe Molecules, NMR Spectroscopy
Related Publication Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/d2cy01578a
Data Generation Experiment
License/Data Use Agreement

CC BY 4.0

Table
Tree
Filter by
1 to 10 of 11 Files
checkcif_report_s2867lm.pdf
checkcif_report_s2867lm.pdf
Crystal Structure/Adobe PDF - 87.9 KB
Published Dec 13, 2022
21 Downloads
MD5: 40a63395f5c3831e590deb319cdfdfc4
Preview "Crystal Structure/checkcif_report_s2867lm.pdf"
plot_s2867_sq.docx
Crystal Structure/MS Word - 173.4 KB
Published Dec 13, 2022
7 Downloads
MD5: 35d558602fb4f1a4b1ebcfe5eeab878b
s2867lm_sq.cif
Crystal Structure/chemical/x-cif - 1.4 MB
Published Dec 13, 2022
6 Downloads
MD5: c5dfe3338acb63bb358aeea52a7b0ab1
s2867lm_sq.pdb
Crystal Structure/chemical/x-pdb - 8.1 KB
Published Dec 13, 2022
9 Downloads
MD5: 5a66a4a02f17c72077954b9f6d059bc8
s2867lm_sq.res
Crystal Structure/Plain Text - 14.4 KB
Published Dec 13, 2022
21 Downloads
MD5: 42dd69aa724d57db16ac80678699cb0d
Preview "Crystal Structure/s2867lm_sq.res"
s2867tab.dat
Crystal Structure/Fixed Field Text Data - 47.9 KB
Published Dec 13, 2022
8 Downloads
MD5: b355c9e9e7a1ddacdf0b818b2c652efa
1,2-Addition with [RhCl(L1)PPh3].xps
HPLC/application/vnd.ms-xpsdocument - 217.0 KB
Published Dec 13, 2022
10 Downloads
MD5: 57efd6ed1ece77f0690a93ee4e00bf08
Additional NMR experiments.zip
NMR spectra/ZIP Archive - 804.5 KB
Published Dec 13, 2022
11 Downloads
MD5: f1f97a1df6ef07c130b9e15fd3a6f9a6
Preview "NMR spectra/Additional NMR experiments.zip"
Phosphane screening.zip
NMR spectra/ZIP Archive - 3.4 MB
Published Dec 13, 2022
23 Downloads
MD5: 424365049496efcc376118aa347a4bfb
Preview "NMR spectra/Phosphane screening.zip"
[RhCl(L1)PAd2(n-Bu)].zip
NMR spectra/ZIP Archive - 74.8 MB
Published Dec 13, 2022
22 Downloads
MD5: f7ad7b1ec25f5e19f8d9ef85ed1dfd4c
Preview "NMR spectra/[RhCl(L1)PAd2(n-Bu)].zip"
Edit File

This file has already been deleted (or replaced) in the current version. It may not be edited.

Restrict Access

Restricting limits access to published files. People who want to use the restricted files can request access by default. If you disable request access, you must add information about access to the Terms of Access field.

Learn about restricting files and dataset access in the User Guide.

Enable access request
You must enable request access or add terms of access to restrict file access.
Save Changes
Edit Embargo

The selected file or files have already been published. Contact an administrator to change the embargo date or reason of the file or files.
Edit Retention Period

The selected file or files have already been published. Contact an administrator to change the retention period date or reason of the file or files.
Delete Files

The file will be deleted after you click on the Delete button.

Files will not be removed from previously published versions of the dataset.

Select File(s)

Please select one or more files.

Share Dataset

Share this dataset on your favorite social media networks.

Continue
Dataset Citations

Citations for this dataset are retrieved from Crossref via DataCite using Make Data Count standards. For more information about dataset metrics, please refer to the User Guide.

Sorry, no citations were found.
Inaccessible Files Selected

The selected file(s) may not be downloaded because you have not been granted access or the file(s) have a retention period that has expired or the files can only be transferred via Globus.

Ineligible Files Selected

The selected file(s) may not be transferred because you have not been granted access or the file(s) have a retention period that has expired or the files are not Globus accessible.

Download Options

The files selected are too large to download as a ZIP.

You can select individual files that are below the 1.9 GB download limit from the files table, or use the Data Access API for programmatic access to the files.

Select File(s)

Please select a file or files to be downloaded.

Inaccessible Files Selected

The selected file(s) may not be downloaded because you have not been granted access or the file(s) have a retention period that has expired.

Click Continue to download the files you have access to download.

Ineligible Files Selected

Some file(s) cannot be transferred. (They are restricted, embargoed, with an expired retention period, or not Globus accessible.)

Click Continue to transfer the elligible files.

Delete Dataset

Are you sure you want to delete this dataset and all of its files? You cannot undelete this dataset.

Delete Draft Version

Are you sure you want to delete this draft version? Files will be reverted to the most recently published version. You cannot undelete this draft.

Unpublished Dataset Private URL

Private URL can only be used with unpublished versions of datasets.

Unpublished Dataset Private URL

Are you sure you want to disable the Private URL? If you have shared the Private URL with others they will no longer be able to use it to access your unpublished dataset.

Delete Files

The file(s) will be deleted after you click on the Delete button.

Files will not be removed from previously published versions of the dataset.

Compute

This dataset contains restricted files you may not compute on because you have not been granted access.

Deaccession Dataset

Are you sure you want to deaccession? This is permanent and the selected version(s) will no longer be viewable by the public.

Deaccession Dataset

Are you sure you want to deaccession this dataset? This is permanent an it will no longer be viewable by the public.

Version Differences Details

Please select two versions to view the differences.

Version Differences Details
 
Version:
Last Updated:
Version:
Last Updated:
Select File(s)

Please select a file or files for access request.

Select File(s)

Embargoed files cannot be accessed. Please select an unembargoed file or files for your access request.

Edit Tags

Select existing file tags or create new tags to describe your files. Each file can have more than one tag.

Request Access

  You need to Log In to request access.

Dataset Terms

Please confirm and/or complete the information needed below in order to request access to files in this dataset.

This dataset is made available under the following terms. Please confirm and/or complete the information needed below in order to continue.

Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation shown on the dataset page.

CC BY 4.0

Preview Guestbook

Upon downloading files the guestbook asks for the following information.

Account Information

Package File Download

Use the Download URL in a Wget command or a download manager to download this package file. Download via web browser is not recommended. User Guide - Downloading a Dataverse Package via URL

https://darus.uni-stuttgart.de/api/access/datafile/

Compute Batch
Clear Batch
Dataset Persistent Identifier Change Compute Batch
Compute Batch
Submit for Review

Please use the publication checklist for authors ( https://www.izus.uni-stuttgart.de/en/fokus/darus/publication/ ) to ensure publication readiness. You will not be able to make changes to this dataset while it is in review.

Publish Dataset

Are you sure you want to republish this dataset?

Select if this is a minor or major version update.

Publish Dataset

This dataset cannot be published until SFB 1333 B3 - Laschat group, IOC is published by its administrator.

Publish Dataset

This dataset cannot be published until SFB 1333 B3 - Laschat group, IOC and SFB 1333 "Molecular heterogeneous catalysis in confined geometries" are published.

Return to Author

Return this dataset to contributor for modification. The reason for return entered below will be sent by email to the author.