C-H Borylation / Cross Coupling Forms Twisted Donor-Acceptor Compounds Exhibiting Donor Dependent Delayed Emission

Autor: Crossley, Daniel L, Kulapichitr, Pakapol, Radcliffe, James, Dunsford, Jay J., Vitorica-Yrezabal, Inigo, Kahan, Rachel, Woodward, Adam, Turner, Michael, McDouall, Joseph J.W., Ingleson, Michael

Publikováno v: Crossley, D L, Kulapichitr, P, Radcliffe, J, Dunsford, J J, Vitorica-Yrezabal, I, Kahan, R, Woodward, A, Turner, M, McDouall, J J W & Ingleson, M 2018, ' C-H Borylation / Cross Coupling Forms Twisted Donor-Acceptor Compounds Exhibiting Donor Dependent Delayed Emission. ', Chemistry: A European Journal, vol. 24, no. 41 . https://doi.org/10.1002/chem.201801799

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 arylation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3818::89c1c3573d23eb6d69c8082a0349f292
https://doi.org/10.1002/chem.201801799

Computational study of chemical shifts in paramagnetic f-element compounds

Autor: Moylan, Helen M., McDouall, Joseph J.W.

Publikováno v: Moylan, H M & McDouall, J J W 2018, ' Computational study of chemical shifts in paramagnetic f-element compounds ', Trends in Physical Chemistry .

The assignment of NMR spectra of paramagnetic species (PNMR) can be a complex undertaking because the presence of unpaired electron spins can cause unpredictable changes in the chemical shifts. The use of quantum chemical methods to assist in the ass

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3818::c401bc067f857313d5c55f6be30cdb2d
http://www.researchtrends.net/tia/article_pdf.asp?in=0&vn=17&tid=16&aid=6137

Combining two-body density functionals with multiconfigurational wavefunctions:diatomic molecules.

Autor: McDouall, Joseph J.W.

Publikováno v: Molecular Physics; 2/10/2003, Vol. 101 Issue 3, p361, 11p

On the choice of active space orbitals in MCSCF calculations

Autor: Rogers, David M., Wells, Claire, Joseph, Melanie, Boddington, Vanessa J., McDouall, Joseph J.W. ^*

Publikováno v: In Journal of Molecular Structure: THEOCHEM 1998 434(1):239-245

An efficient string-based truncation scheme for MCSCF calculations

Autor: Rogers, David M., McDouall, Joseph J.W. ^*

Publikováno v: In Journal of Molecular Structure: THEOCHEM 1998 452(1):49-54