Zobrazeno 1 - 10
of 352
pro vyhledávání: '"Michael Bühl"'
Autor:
Claire N. Brodie, Alister S. Goodfellow, Matthew J. Andrews, Aniekan E. Owen, Michael Bühl, Amit Kumar
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract We report here a method to make a branched and partially ethoxylated polyethyleneimine derivative directly from ethanolamine. The polymerization reaction is catalysed by a pincer complex of Earth-abundant metal, manganese, and produces water
Externí odkaz:
https://doaj.org/article/9f470d0cd25e4a85a328f2e241667db8
Autor:
Anna E. Tarcza, Alexandra M. Z. Slawin, Cameron L. Carpenter-Warren, Michael Bühl, Petr Kilian, Brian A. Chalmers
Publikováno v:
Molecules, Vol 28, Iss 21, p 7297 (2023)
A series of phosphorus and selenium peri-substituted acenaphthene species with the phosphino group oxidized by O, S, and Se has been isolated and fully characterized, including by single-crystal X-ray diffraction. The P(V) and Se(II) systems showed f
Externí odkaz:
https://doaj.org/article/8a2d3010738548019818fccf68edb523
Publikováno v:
Molecules, Vol 28, Iss 8, p 3447 (2023)
Using a combination of unconstrained and constrained molecular dynamics simulations, we have evaluated the binding affinities between two porphyrin derivatives (TMPyP4 and TEGPy) and the G-quadruplex (G4) of a DNA fragment modeling the insulin-linked
Externí odkaz:
https://doaj.org/article/9651449d717b473f80caa7bc36e05e25
Publikováno v:
Catalysis Communications, Vol 162, Iss , Pp 106385- (2022)
New naphtho[2,1,8,7-klmn]xanthene and benzo[kl]xanthene-based intramolecular phosphane–borane frustrated Lewis pairs (FLPs) were investigated in catalyzed H2 activation and CO2 hydrogenation processes. According to DFT predictions at the B3LYP-D3 l
Externí odkaz:
https://doaj.org/article/08d5108ead854d0496f9fa1b682e1ae2
Autor:
Brian A. Chalmers, D. M. Upulani K. Somisara, Brian A. Surgenor, Kasun S. Athukorala Arachchige, J. Derek Woollins, Michael Bühl, Alexandra M. Z. Slawin, Petr Kilian
Publikováno v:
Molecules, Vol 26, Iss 23, p 7222 (2021)
A series of phosphorus-arsenic peri-substituted acenaphthene species have been isolated and fully characterised, including single crystal X-ray diffraction. Reactions of EBr3 (E = P, As) with iPr2PAcenapLi (Acenap = acenaphthene-5,6-diyl) afforded th
Externí odkaz:
https://doaj.org/article/6684923103394a94b46793ce099c51af
Autor:
Alister S. Goodfellow, Michael Bühl
Publikováno v:
Molecules, Vol 26, Iss 13, p 4072 (2021)
A range of modern density functional theory (DFT) functionals have been benchmarked against experimentally determined metal hydride bond strengths for three first-row TM hydride complexes. Geometries were found to be produced sufficiently accurately
Externí odkaz:
https://doaj.org/article/f4fa923fc16f4490adc71c614150b83b
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 12, Iss 1, Pp 2823-2827 (2016)
2,2-Dimethyl-5-phenyl-1,1,3,3-tetrafluororocyclohexane has been prepared and characterised as an example of a facially polarised cyclohexane containing 1,3 related CF2 groups. The dipolar nature of the ring arises from the axial orientation of two of
Externí odkaz:
https://doaj.org/article/79f613df87e94c67a39bab366383ade2
Autor:
Tracey L. Roemmele, Fergus R. Knight, Ellis Crawford, Stuart D. Robertson, Bela E. Bode, Michael Bühl, Alexandra M. Z. Slawin, J. Derek Woollins, René T. Boeré
Publikováno v:
New Journal of Chemistry. 46:22363-22383
Chemically reversible electron transfers between neutral, cation radical and dication naphthalenic peri-1,8-diphenylchalcogenides are governed by chalcogen (SS, SSe, STe, SeSe, SeTe, TeTe) contributions to the redox molecular orbitals.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0dd9c67e623942d5c3cd253ca10d7002
https://doi.org/10.1039/d2nj04737c
https://doi.org/10.1039/d2nj04737c
Authors thank EaStCHEM and the School of Chemistry for their support. The detailed mechanism for ruthenium-catalysed selective reductionof cardanol derivatives by transfer hydrogenation has been fully characterisedat the B3PW91-D3/ECP2/PCM//B3PW91/EC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0cf0f5b8a805d7c534540199754ebb3
https://hdl.handle.net/10023/27128
https://hdl.handle.net/10023/27128
Publikováno v:
Angewandte Chemie. 135
Funding: Authors would like to thank the University of St Andrews, combined with the EPSRC Centre for Doctoral Training in Critical Resource Catalysis (CRITICAT) for financial support [PhD studentship to CO; Grant code: EP/L016419/1], and the EaSI-CA
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::042ee0676966f441cc8e90a60682f5c4
https://doi.org/10.1002/ange.202212479
https://doi.org/10.1002/ange.202212479