Deuterated Liquid Crystals - design and synthesis of deuterium labelled 4,4ʺ-dialkyl-2′,3′-difluoro-[1,1′:4′,1ʺ]terphenyls using batch and continuous flow systems

Abstract

Table of contents 1. Analytical instrumentation 3 2. Synthetic protocols 4 2.1. General synthetic procedures 4 2.2. Synthetic procedures for LCs 5 2.3. Synthetic procedures for single-ring model molecules 3. Phase transition temperatures and enthalpies 3.1. Liquid crystalline precursors of deuterated LCs 3.2. Deuterated LCs 4. 1 H NMR and 13 C NMR for 2T3 family 5. DSC analysis 6. Fragmentation paths and mass spectra for model compounds 7. Photodegradation -DSC analysis 8. GC-MS analysis and mass spectra for photodegradation products

Highly Selective and Efficient Perdeuteration of n‐Pentane via H/D Exchange Catalyzed by a Silica‐Supported Hafnium‐Iridium Bimetallic Complex

“…This is further supported by the IR spectroscopy analysis of HfIr/SiO 2 _B which is identical to that of HfIr/SiO 2 _A (Figure 1). The 1 H and 13 C solid-state NMR spectra of HfIr/SiO 2 _A and HfIr/SiO 2 _B are identical and exhibit the expected signals for the Cp*, Np and hydride ligands (Figure S4), in agreement with the proposed structure. The similarity of the IR and NMR signatures of HfIr/SiO 2 _A and HfIr/SiO 2 _B indicates that the same surface species, 2-s, is obtained using both routes (A and B), suggesting the equivalence of these synthetic approaches.…”

“…[1,2] This allows, among other things, the preparation of bioanalytical standards used for the understanding of toxicity and pharmacokinetic properties which are critical for most pharmaceutical and agrochemical companies. [3][4][5][6] HIE of C(sp 3 )À H bonds is also relevant for the decontamination of tritium-containing radioactive waste oils from nuclear facilities, [7][8][9][10][11] or for the deuteration of organic materials, [12][13][14] for instance to increase the performances of OLEDs. [15][16][17][18][19] Besides, perdeuterated alkanes are useful as solvents and probes for NMR studies, [20] as analytical standards for improved GC/MS data analysis, [21] and have received attention to prevent counterfeiting, for example to identify illegal fuels.…”

Highly Selective and Efficient Perdeuteration of n‐Pentane via H/D Exchange Catalyzed by a Silica‐Supported Hafnium‐Iridium Bimetallic Complex

“…This allows, among other things, the preparation of bioanalytical standards used for the understanding of toxicity and pharmacokinetic properties which are critical for most pharmaceutical and agrochemical companies [3–6] . HIE of C(sp 3 )−H bonds is also relevant for the decontamination of tritium‐containing radioactive waste oils from nuclear facilities, [7–11] or for the deuteration of organic materials, [12–14] for instance to increase the performances of OLEDs [15–19] . Besides, perdeuterated alkanes are useful as solvents and probes for NMR studies, [20] as analytical standards for improved GC/MS data analysis, [21] and have received attention to prevent counterfeiting, for example to identify illegal fuels [22] .…”