Data from PhD thesis by Carola Haslinger "Towards efficient long wavelength photoinitiators for highly filled systems"

Context and methodology

This data was collected within the framework of the PhD thesis by Carola Haslinger. The thesis has been published in TU Wien's reposiTUm as referenced below. The thesis aimed for the synthesis of novel long-wavelength photoinitiators especially for highly filled systems. The work is devided in two main chapters, with the first chapter focusing on the electric field modification of already existing photoinitiators to shift the absorbance to longer wavelengths by implementing functional groups. The second chapter deals with the synthesis and characterization of heteroatom-based photoinitiators with focus on acylstannanes. This substance class is known to absorb light with longer wavelengths, although literature-known substances do not show sufficient storage stability.

Technical details

The data set is organized in several files/folders as described below.

PDF file "Haslinger Experimenteliste" contains an explaination of the shortcuts used for the data and corresponds to the shortcuts in the lab notebook.
The dataset contains the following folders (as ZIP) organized by the methodologies used for acquisition. (in alphabetical order)

• "Curing depth" contains a XLSX file from curing depth experiments as described in part B, chapter 3.6 from the related works document.
• „Figure 70-75 photos and artwork“ contains a PPTX file with the schematic curing depth depiction from Figure 70 in the related works document, JPG files with photos from the curing depth experiments, displayed as Figure 71 and 72 in the related works document and JPG files with the photolysis set-up from Figure 73 (photograph), 74 (created with chemix.org) and 75 (created with Blender v4.5.3 LTS) from the related works document.
• "HPLC CHA005-06" contains TXT data from HPLC measurements of the reaction CHA005-06 described in part B chapter 3.1 from the related works document.
• "Nexera" contains LCD data from UPLC-MS measurements including elugrams, MS-data, spectroscopic data, total ion count and evaporative light scattering as described in part B in chapter 2.1 and 3.2 from the related works document.
• "NMR data" contains raw NMR data of substances referenced in the PDF file "Haslinger Experimenteliste".
• "PhotoDSC" contains dynamic scanning calorimetry measurements as TXT data of acrylic and methacrylic formulations containing various photoinitiators, irradiated with either 400 or 460 nm. The methods are described in part B, chapter 3.5 from the related works document.
• "Photolyse" contains raw data of the steady state photolysis experiments conducted in part B, chapter 3.7 from the related works document as TXT files. 
• "STA CHA005-06" contains a TXT file from simultaneous thermal analysis used for the determination of the melting point of the substance tetrakis(2,6-dimethoxybenzoyl)stannane.
• "Stability" contains four stability studies based on UV/Vis spectroscopy of acylstannanes and reference compounds as TXT data, as described in part B, chapter 3.8 from the related works document.
• "UV Vis" contains the data of UV/Vis measurements as TXT data used in both chapters (part A chapter 1.1, 1.2, 1.3, 2.3 and part B chapter 2.3, 2.4, and 3.4) of the related works document.
• "XRD" contains a CIF file with the crystallographic information described in part B, chapter 3.3

File types:

• .lcd (UPLC-MS measurements) processable with LabSolutions Version 5.114 by Shimadzu Corporation.
• .cif (single crystal X-ray crystallography) processable with Mercury 2020.3
• Bruker NMR raw data directories (pdata, acqu, shimvalues, etc.): processable with MestreNova or Bruker TopSpin