READ ME File For “DATASET for "Singlet NMR in a Case of Exceptional Molecular Symmetry" - Pulse sequences”

Dataset DOI: https://doi.org/10.5258/SOTON/D3557

ReadMe Author: Urvashi D. Heramun, University of Southampton

This dataset supports the publication:
Urvashi D. Heramun, Mohamed Sabba, Christian Bengs, Gamal Moustafa, and Malcolm H. Levitt (2025)
Singlet NMR in a Case of Exceptional Molecular Symmetry
The Journal of Chemical Physics

Description:

The .zip folder contains the pulse sequences used to acquire the data presented in the main paper.

The sequences are as follows:

1. GeoDQ Singlet Ts

GeoDQ-singlet pulse sequence, where the delay was varied to measure the singlet relaxation time constant Ts.

2. GeoDQ Singlet 

GeoDQ-singlet pulse sequence, to obtain the DQF-singlet spectra.

3. GeoDQ 

GeoDQ pulse sequence, used to obtain the DQF spectra.

Related projects:
We acknowledge funding from the European Research Council (Grant No. 786707-FunMagResBeacons) and EPSRC-UK (Grant Numbers EP/P030491/1, and EP/V055593/1).

Dataset available under a CC BY 4.0 licence

Publisher: University of Southampton, U.K.

Date: June 2025