Projects per year
Abstract
Original language | English |
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Article number | e202300393 |
Journal | European Journal of Inorganic Chemistry |
Volume | 27 |
Issue number | 1 |
Early online date | 13 Oct 2023 |
DOIs | |
Publication status | Published - 2 Jan 2024 |
Funding
This work would not have been possible if it weren't for Professor Mike Hill and his group busily synthesising all kinds of fun compounds. Thanks to all whose experimental work on magnesium boryls has shaped this project (Anne‐Fred P., Cath W., Annie C., Grace M., Bibian O.‐E., Max D. Louis M. and Henry S.), and of course to Mike for leading us. Thanks also to Dr Mary Mahon for all her crystallography knowledge that has provided structures to compute, and to Dr Nasir Rajabi who significantly contributed to the previous computational mechanistic studies. CLM and SEN thank the EPSRC for funding (EP/R020752). CLM also thanks the Royal Society of Chemistry for a Research Enablement Grant (E21‐8355738114). GLY was a recipient of the University of Bath Andrey Berzins Gold Scholarship, she also thanks the Department of Chemistry at the University of Bath for project student funding. This research made use of the Balena and Anatra High Throughput Computing (HTC) Clusters at the University of Bath. The authors gratefully acknowledge the University of Bath's Research Computing Group (doi.org/10.15125/b6cd‐s854) for their support in this work. This work would not have been possible if it weren't for Professor Mike Hill and his group busily synthesising all kinds of fun compounds. Thanks to all whose experimental work on magnesium boryls has shaped this project (Anne-Fred P., Cath W., Annie C., Grace M., Bibian O.-E., Max D. Louis M. and Henry S.), and of course to Mike for leading us. Thanks also to Dr Mary Mahon for all her crystallography knowledge that has provided structures to compute, and to Dr Nasir Rajabi who significantly contributed to the previous computational mechanistic studies. CLM and SEN thank the EPSRC for funding (EP/R020752). CLM also thanks the Royal Society of Chemistry for a Research Enablement Grant (E21-8355738114). GLY was a recipient of the University of Bath Andrey Berzins Gold Scholarship, she also thanks the Department of Chemistry at the University of Bath for project student funding. This research made use of the Balena and Anatra High Throughput Computing (HTC) Clusters at the University of Bath. The authors gratefully acknowledge the University of Bath's Research Computing Group (doi.org/10.15125/b6cd-s854) for their support in this work.
Funders | Funder number |
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Engineering and Physical Sciences Research Council | EP/R020752 |
Royal Society of Chemistry | E21‐8355738114 |
University of Bath |
Keywords
- Bond cleavage
- Boron
- Density functional calculations
- Magnesium
- Reaction mechanisms
ASJC Scopus subject areas
- Inorganic Chemistry
Fingerprint
Dive into the research topics of 'A Computational Study into the Mechanism of B–B Bond Cleavage in a Magnesium(II) Diboranate Complex'. Together they form a unique fingerprint.Projects
- 2 Finished
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Improving Computational Models for Anions in Solution
McMullin, C. (PI)
1/02/22 → 1/01/24
Project: UK charity
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Nucleophilic alkaline earth boryls: from conception and theory to application
Hill, M. (PI), Cresswell, A. (CoI) & McMullin, C. (Researcher)
Engineering and Physical Sciences Research Council
1/05/18 → 31/07/22
Project: Research council
Equipment
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Anatra HTC cluster
Facility/equipment: Equipment
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Balena High Performance Computing (HPC) System
Facility/equipment: Equipment