PiF-IR data of PMIS-C8 monolayer films on nanostructured and planar Au substrates, complementary AFM, FTIR/ATR and BAM data and calculated PMIS-C8 spectra

Raw data sets for Manuscript: Title: Effect of hybrid field coupling in nanostructured surfaces on anisotropic signal detection in nanoscale infrared spectroscopic imaging methods Autors: Ayona James,a,b Maryam Ali,a,b Zekai Ye,b Phan Thi Yen Nhi,a,b Sharon Xavi,a Mashiat Huq,a Sajib Barua,a,b Meng Luo,a Yisak Tsegazab,a,b Anna Elmanova,a,b Robin Schneider,b Olga Ustimenko,c Sarmiza-Elena Stanca,b Marco Diegel,b Andrea Dellith,b Uwe Hübner,b Christoph Krafft,a,b Jasmin Finkelmeyer,b Maximilian Hupfer,a,b Kalina Peneva,c,d,e Matthias Zeisberger,b Christin David,f,g Martin Presselt,a,b and Daniela Täuber*a,b a Institute of Physical Chemistry (IPC), Friedrich Schiller University Jena, 07743 Jena, Germany.b Leibniz Institute of Photonic Technology (LIPHT), 07745 Jena, Germany.c Institute of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, 07743 Jena, Germany.d Jena Center of Soft Matter (JCSM), Friedrich Schiller University Jena, 07743 Jena, Germany.e Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, 07743 Jena, Germany. f Institute of Condensed Matter Theory and Solid State Optics (IFTO), Friedrich Schiller University Jena, 07743 Jena, Germany.g University of Applied Sciences Landshut, 84036 Landshut, Germany. Content: Mid-infrared photo-induced force microscopy (PiF-IR) of oriented monolayer perylene (PMIS-C8) films on planar and nanostructured Au substrates (single point spectra, single frequency images, hyperspectral imaging); Atomic force microscopy (AFM) images of monolyer perylene films and plain Au substrates; Brewster Angle Microscopy (BAM) images acquired during Langmuir-Blodgett film deposition of the alkylated perylene derviate (PMIS-C8) on water; complementary infrared spectra of PMIS-C8 (FTIR & ATR) and calculated polarization-resolved IR spectra of PMIS-C8 together with interactive 3D visualizations allowing inspection of static atomic displacement vectors and dynamic animations of vibrational motions. PiF-IR spectra & single frequency scans (Figures 1a,b, S4): PMIS-C8 on evaporated Au, pos1: 251120_PMIS-C8_0001_spectra.zip (Figures 1a, S4a) PMIS-C8 on planar Au, pos2: 250619_PMIS-C8_0001_spectra.zip (Figures 1b, S4b, S5a-c) PMIS-C8 on planar Au, pos1: 250618_PMIS-C8_0001_spectra.zip (Figure S4c) PMIS-C8 on evaporated Au, pos2 including PDMS: 251121_PMIS-C8_0001_spectra.zip (Figure S4d) FTIR & ATR spectra (ATR-FTR.zip, Figure 1c): FTIR on Bruker microscope: BRUKER_FTIR_pmisc8.dpt FTIR on Agilent microscope: ftir_pmisc8.csv - ftir_WaterVapor.csv = ftir_pmisc8-WaterVapor.csv ATR: atr_WaterVapor.csv, atr_pmisc8-WaterVapor.csv, and corrected spectrum: atr_pmisc8-WaterVapor_ATcorr.csv Calculated spectra (Calculated_PMIS-C8_Spectra.zip, Figures 1d-f): Mode frequencies & intensities including x,y,z-components: ir_summary_all_modes.txt Line broadened spectra including x,y,z-components: spectra_fwhm_10.txt Interactive list of calculated modes, frequencies and total intensities: index.html Interactive molecular structure: interactive_molecule_export.html Interactive stick spectrum: interactive_spectrum.html 2 folders with associated files for animations and data sets BAM (BAM_Deposition_PMISC8.zip, Figure S1): Deposition of PMIS-C8 solution on water surface AFM (AFM.zip, Figures S2, S3): AFM_plain_evaporated-Au (Figure S2a) AFM_plain_planar-Au (Figure S2b) AFM_PMISC8_planar-Au (Figures S3a,b) AFM_PMISC8_evaporated-Au (Figures S3c,d) PIF-IR hyperspectral and single frequency scans (Figures 2-4, S4-6): PiF-IR hyperspectrum PMIS-C8 on evaporated Au: PiF-IR_PMISC8_evaporated-Au_hypir.zip (Figure 2) PiF-IR single frequency scan on evaporated Au, position of hyperspectrum: 251120_PMIS-C8_0002_scan.zip (Figure 2) 3 subsequent PiF-IR single frequency scans on evaporated Au: 251121_PMIS-C8_0002-4_scans.zip (Figure 4) PiF-IR hyperspectrum PMIS-C8 on planar Au: 250618_PMIS-C8_0004_hypir.zip (Figures 3, S5g-i) 2 subsequent PiF-IR single frequency scans on planar Au: 250618_PMIS-C8_0002-3_scans.zip (Figure 3, S5d-f, S6a) 2 subsequent PiF-IR single frequency scans on planar Au, pos 2: 250619_PMIS-C8_0002-3_scans.zip (Figure S6b)