History of changes to: Multi-nuclear operando FlowNMR investigations of catalytic amine formation reactions
Date Action Change(s) User
Feb. 13, 2024, 4:20 p.m. Created 43 [{"model": "core.projectfund", "pk": 67111, "fields": {"project": 15365, "organisation": 2, "amount": 0, "start_date": "2020-10-01", "end_date": "2024-09-30", "raw_data": 176072}}]
Jan. 30, 2024, 4:25 p.m. Created 43 [{"model": "core.projectfund", "pk": 59933, "fields": {"project": 15365, "organisation": 2, "amount": 0, "start_date": "2020-10-01", "end_date": "2024-09-30", "raw_data": 151128}}]
Jan. 2, 2024, 4:16 p.m. Created 43 [{"model": "core.projectfund", "pk": 52799, "fields": {"project": 15365, "organisation": 2, "amount": 0, "start_date": "2020-10-01", "end_date": "2024-09-30", "raw_data": 131195}}]
Dec. 5, 2023, 4:24 p.m. Created 43 [{"model": "core.projectfund", "pk": 45544, "fields": {"project": 15365, "organisation": 2, "amount": 0, "start_date": "2020-09-30", "end_date": "2024-09-29", "raw_data": 96164}}]
Nov. 27, 2023, 2:16 p.m. Added 35 {"external_links": []}
Nov. 21, 2023, 4:43 p.m. Created 43 [{"model": "core.projectfund", "pk": 38271, "fields": {"project": 15365, "organisation": 2, "amount": 0, "start_date": "2020-09-30", "end_date": "2024-09-29", "raw_data": 78941}}]
Nov. 21, 2023, 4:43 p.m. Created 41 [{"model": "core.projectorganisation", "pk": 114932, "fields": {"project": 15365, "organisation": 11250, "role": "STUDENT_PP_ORG"}}]
Nov. 21, 2023, 4:43 p.m. Created 41 [{"model": "core.projectorganisation", "pk": 114931, "fields": {"project": 15365, "organisation": 14385, "role": "LEAD_ORG"}}]
Nov. 21, 2023, 4:43 p.m. Created 40 [{"model": "core.projectperson", "pk": 72308, "fields": {"project": 15365, "person": 21505, "role": "SUPER_PER"}}]
Nov. 20, 2023, 2:06 p.m. Updated 35 {"title": ["", "Multi-nuclear operando FlowNMR investigations of catalytic amine formation reactions"], "description": ["", "\nIn this project I will apply the operando spectroscopic capabilities of Bath's Dynamic Reaction Monitoring Facility to\ngain new insights into the mechanisms of a range of homogeneously catalysed amine formation reactions (including\nimine reduction, reductive amination, hydrogen-borrowing amination, and C-N cross coupling reactions).\nThe approach will be to correlate product formation kinetics (analysed over the course of the reaction via RPKA\nmethods) with catalyst speciation profiles acquired under the same conditions. This will give new insights into\nactivation and inhibition/deactivation pathways as well as information on dormant off-cycle species. In line with the\nCSCT ethos of sustainability, this will hopefully lead to the rational development of improved protocols (including\naspects of ease of operation, facilitated downstream separations, process-mass-intensity, energy demand, cost and\ntoxicity) and catalysts with increased efficiency in terms of activity, selectivity, productivity or stability. In line with the\nethos of the CSCT, these studies will hopefully lead to the development of more sustainable protocols for\nhomogeneously catalysed amine formation reactions. Lastly, we would like to develop novel transformations based\nupon the mechanistic insights where appropriate.\nOur aim, with the help of NMR specialist's Dr John Lowe and Catherine Lyall, is to develop efficient protocols that\nenable the quantitative real-time monitoring of catalytic reactions by multi-nuclear FlowNMR spectroscopy.\nDepending on conditions like temperature, pressure, viscosity and phase behaviour this may include hardware\nmodifications (adaption of tubing materials, filters, reactors, pumps, flow-tube tips etc.) as well as optimisation of one\nand two-dimensional pulse sequences as dictated by concentrations and lifetimes of reaction intermediates of\ninterest. Furthermore, diffusional (DOSY) and dynamic (EXSY, CEST) NMR methods will be used as well as\nintegration and cross-calib ration with complementary techniques such as UV-vis and IR/Raman spectroscopies and\nsampling HPLC and MS as required.\nIn addition, we hope to develop methods for automated data analysis and quantification (across multiple techniques if\nrequired) as well as reaction progress kinetic analysis using graphical methods (VTNA). Further, we envision, and will\npursue if appropriate, the use of use of real-time analysis and automated data interpretation with regulation of\nprocess parameters using algorithms to establish a fully autonomous self-optimising system for homogeneous\ncatalysis\nMost of the experimental work will be conducted at the\n\n"], "extra_text": ["", "\n\n\n\n"], "status": ["", "Active"]}
Nov. 20, 2023, 2:06 p.m. Added 35 {"external_links": [60251]}
Nov. 20, 2023, 2:06 p.m. Created 35 [{"model": "core.project", "pk": 15365, "fields": {"owner": null, "is_locked": false, "coped_id": "6cadba36-9faa-45bc-81fa-13f6c63d8990", "title": "", "description": "", "extra_text": "", "status": "", "start": null, "end": null, "raw_data": 78927, "created": "2023-11-20T13:57:52.773Z", "modified": "2023-11-20T13:57:52.773Z", "external_links": []}}]