Zobrazeno 1 - 10
of 128
pro vyhledávání: '"Joseph J W, McDouall"'
Publikováno v:
Magnetochemistry, Vol 5, Iss 1, p 3 (2019)
The prediction of paramagnetic NMR (pNMR) chemical shifts in molecules containing heavy atoms presents a significant challenge to computational quantum chemistry. The importance of meeting this challenge lies in the central role that NMR plays in the
Externí odkaz:
https://doaj.org/article/eb9c7666e5924a9c9aa2a7ca93a2222f
Publikováno v:
Journal of the American Chemical Society
The archetypal single electron transfer reductant, samarium(II) diiodide (SmI2, Kagan’s reagent), remains one of the most important reducing agents and mediators of radical chemistry after four decades of widespread use in synthesis. While the chem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f8b0bec623c27543490420667e1ce49
https://doi.org/10.1021/jacs.1c01356
https://doi.org/10.1021/jacs.1c01356
Autor:
Dong Wang, C. Grace Carlton, Masanori Tayu, Joseph J. W. McDouall, Gregory J. P. Perry, David J. Procter
Publikováno v:
Angewandte Chemie. 132:16052-16056
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6231aaeffe60848cd76241839adcd12a
https://doi.org/10.1002/ange.202005531
https://doi.org/10.1002/ange.202005531
Publikováno v:
Huang, H, McDouall, J J W & Procter, D 2018, ' Radical Anions from Urea-type Carbonyls: Radical Cyclizations and Cyclization Cascades ', Angewandte Chemie, vol. 57, no. 18, pp. 4995-4999 . https://doi.org/10.1002/anie.201800667
Radical anions generated from urea carbonyls by reductive electron transfer are exploited in carbon-carbon bond formation. New radical cyclizations of urea radical anions deliver complex nitrogen heterocycles and, depending upon the protonsource used
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38de3e330eabc6b243a6cb855ef2061e
https://doi.org/10.1002/ange.201800667
https://doi.org/10.1002/ange.201800667
Autor:
Daniel L, Crossley, Pakapol, Kulapichitr, James E, Radcliffe, Jay J, Dunsford, Inigo, Vitorica-Yrezabal, Rachel J, Kahan, Adam W, Woodward, Michael L, Turner, Joseph J W, McDouall, Michael J, Ingleson
Publikováno v:
Chemistry (Weinheim an Der Bergstrasse, Germany)
Benzothiadiazole (BT) directed C−H borylation using BCl3, followed by B−Cl hydrolysis and Suzuki–Miyaura cross‐coupling enables facile access to twisted donor–acceptor compounds. A subsequent second C−H borylation step provides, on arylat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9e5f345ab811cb0aaf1ca7be239d1ee8
https://pubmed.ncbi.nlm.nih.gov/29781115
https://pubmed.ncbi.nlm.nih.gov/29781115
Publikováno v:
Organometallics. 34:2348-2355
Deprotonation of dimethyl(pyrrolidylmethyl)silylpentadiene (5) and bis(2-methoxyethyl)aminomethyl(dimethyl)silylpentadiene (7) with nBuLi/tmeda and nBuLi, respectively, results in their corresponding lithium complexes, 6 and 8. The lithium cation in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83d1a9a91824165493dedc77aad2bf54
https://doi.org/10.1021/om501144f
https://doi.org/10.1021/om501144f
Autor:
Mark W. Whiteley, Kathryn A.E. Roberts, Neil J. Brown, Paul J. Low, Hannah N. Roberts, Joseph J. W. McDouall
Publikováno v:
Polyhedron. 86:89-97
DFT calculations at the B3LYP/Def2-SVP level have been conducted on the half-sandwich cycloheptatrienyl molybdenum complexes [Mo(CO)(3)(eta-C7H7)(+), [1](+) and [MoBrL2(eta-C7H7)](n+) (L-2= 2 CO, n = 0, 2; L-2= bpy, n = 0, 3; L-2 = bpy, n = 1, [3](+)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4659de42cec165e735da17b9c5c7e5c2
https://doi.org/10.1016/j.poly.2014.05.027
https://doi.org/10.1016/j.poly.2014.05.027
Autor:
Helen M, Moylan, Joseph J W, McDouall
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 23(32)
The theory and computation of EPR parameters from first principles has seen a great deal of development over the past two decades. In particular, various techniques for the computation of the electronic g tensor have been implemented in many quantum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::7f16e1be741a4bd1850ce42a61efc38e
https://pubmed.ncbi.nlm.nih.gov/28422350
https://pubmed.ncbi.nlm.nih.gov/28422350
Autor:
Iñigo J, Vitórica-Yrezábal, Daniel Florin, Sava, Grigore A, Timco, Martyn S, Brown, Mathew, Savage, Harry G W, Godfrey, Florian, Moreau, Martin, Schröder, Flor, Siperstein, Lee, Brammer, Sihai, Yang, Martin P, Attfield, Joseph J W, McDouall, Richard E P, Winpenny
Publikováno v:
Angewandte Chemie (International ed. in English). 56(20)
The {Cr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::4a7402233b8f2e9e85eeec0ce4a3b24f
https://pubmed.ncbi.nlm.nih.gov/28407353
https://pubmed.ncbi.nlm.nih.gov/28407353
Publikováno v:
Kern, N, Plesniak, M, Mcdouall, J & Procter, D 2017, ' Enantioselective cyclizations and cyclization cascades of samarium ketyl radicals ', Nature Chemistry, vol. 9, pp. 1198-1204 . https://doi.org/10.1038/nchem.2841
The rapid generation of molecular complexity from simple starting materials is a key challenge in synthetic science. Enantioselective radical cyclization cascades have the potential to deliver complex, densely-packed, polycyclic architectures, with c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10015d2df5e8680d7545d1a283237ad6
https://pubmed.ncbi.nlm.nih.gov/29168498
https://pubmed.ncbi.nlm.nih.gov/29168498