Refined high-pressure tube design for improved resolution in high-pressure NMR spectroscopy

Abstract

High-pressure NMR spectroscopy has become a valuable analytical tool in many activities, including the energy sector, chemical research, and biophysics. Many pressure-based applications could benefit from low-field NMR. In this...

Penta- versus hexa-coordinated iridium catalysts control the reactivity of the direct reductive amination between aliphatic amines and aliphatic ketones: a DFT-guided mechanism

“…[4][5][6] However, homogeneous catalytic reactions involving the use of gas reagents imply very demanding set-ups to monitor these processes, thus significantly limiting the gain of mechanistic insights. [7][8][9][10][11][12][13][14][15] On the other hand, computational calculations by means of stateof-the-art density functional theory (DFT) protocols enable the identification of reaction pathways for explaining the selectivity and/or the activity reached with a given metal catalyst. [16][17][18][19][20][21][22][23] This is particularly advantageous for homogeneous metal-catalysed reactions involving gaseous reagents such as H 2 , CO, CO 2 , and others, which are routinely employed in hydrogenations, hydroformylations, (alkoxy) carbonylations, carboxylations and related ones, including also the asymmetric variants.…”

SABRE Hyperpolarization with up to 200 bar Parahydrogen in Standard and Quickly Removable Solvents

“…This limitation is probably due to the lack of a suitable setup for p-H 2 supply at high pressures and a lack of low-cost, commercially available high-pressure NMR tubes. An easy-to-replicate and inexpensive high-pressure tube design was reported recently [38]. Moreover, a recent report has described a low-cost and versatile high-pressure setup employing a high-pressure sapphire tube, allowing spectroscopic analyses of samples pressurized up to 200 bar with a benchtop NMR spectrometer.…”