1. ABOUT THE DATASET -------------------- Title: Precise Determination of Molecular Adsorption Geometries by Room Temperature Non-Contact Atomic Force Microscopy Creator(s): All experimental data, .sxm files, .dat files taken by Timothy Brown. Organisation(s): University of Leeds (all authors) Rights-holder(s): Unless otherwise stated, Copyright 2023 University of Leeds Publication Year: 2023 Description: Data submitted is for a series of experiments in non-contact atomic force microscopy (NC-AFM) wherein force map data of multiple CoPc and C60 molecules are gathered. Taking high-resolution data in NC-AFM at room temperature make control of the thermal fluctuations and increased diffusion across the substrate surface a necessity. Here atom tracking and feedforward compensation were employed, in a scripted manner, alongside data acquisition in order to maintain stability, and enable intramolecular resolution. The experimental data is in the form of images (.sxm files) and spectroscopy curves (.dat files) taken using Nanonis SPM controller software. Most files were taken with the intention of calculating averages and collating into multiple dimensions with Python code. Details on how the data was processed can be found in the supplementary information. Cite as: Timothy Brown, Philip James Blowey, Adam Sweetman (2023): Raw data for: Intramolecular Force Mapping at Room Temperature. University of Leeds. [Dataset] https://doi.org/10.5518/1425 Related publication: Timothy Brown, Philip James Blowey, and Adam Sweetman. Precise Determination of Molecular Adsorption Geometries by Room Temperature Non-Contact Atomic Force Microscopy. Communicationis Chemistry. https://doi.org/10.21203/rs.3.rs-3314220/v1 (2023) (awaiting acceptance) Contact: Corresponding authors Timothy Brown (T.J.Brown@leeds.ac.uk) and Adam Sweetman (a.m.sweetman@leeds.ac.uk) 2. TERMS OF USE --------------- e.g. Copyright 2023 University of Leeds. Unless otherwise stated, this dataset is licensed under a Creative Commons Attribution 4.0 International Licence: https://creativecommons.org/licenses/by/4.0/. 3. PROJECT AND FUNDING INFORMATION ---------------------------------- Title: Precise Determination of Molecular Adsorption Geometries by Room Temperature Non-Contact Atomic Force Microscopy Dates: October 2018 - November 2023 Funding organisation: Royal Society Grant no.: RG.PHAS.115350 4. CONTENTS ----------- File listing Data are serparated into 4 primary folders, 2 pertaining to C60 (images and spectroscopy files respectively), one folder containing data pertaining to CoPc images / spectra, lastly a folder holding data specific to the suppplemenetary information. CoPc data Folder: Sorted into 3 main .tar files pertaining to relevant figures (1, 2 and 3). Also included are video versions of image maps presented in figs 2 and 3. C60 constant height map images Folder: Divided into 5 further subfolders, each containing the raw files compressed as a .tar file and the python code file used to import and view them Other C60 data Folder: Includes the video, temperature, thermal drift and spectroscopy files. Raw data divided into 6 main subfolders, these contain all the .sxm image for each of the 3D mapping experiments described in Figures 4, 5 & 6. Supplementary: Divided into 4 subfolders each pertaining to particular Figures in the .pdf. It has its own read_me file to further explain. The data for figure 5 is spread across numberous .sxm files which have been .tar'd. 5. METHODS ---------- A detailed account of the methodology can be found in the manuscript text. https://doi.org/10.21203/rs.3.rs-3314220/v1