Dihydrogen contacts observed by through-space indirect NMR coupling

0496365 - ÚOCHB 2019 RIV GB eng J - Journal Article
Dračínský, Martin - Buchta, Michal - Buděšínský, Miloš - Vacek Chocholoušová, Jana - Stará, Irena G. - Starý, Ivo - Malkina, O. L.
Dihydrogen contacts observed by through-space indirect NMR coupling.
Chemical Science. Roč. 9, č. 38 (2018), s. 7437-7446. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GA16-08294S; GA ČR(CZ) GA18-11851S
Institutional support: RVO:61388963
Keywords : NMR spectroscopy * through-space interaction * helicenes
OECD category: Physical chemistry
Impact factor: 9.556, year: 2018
https://pubs.rsc.org/en/content/articlehtml/2018/sc/c8sc02859a

“Through-space” indirect spin-spin couplings between hydrogen atoms formally separated by up to 18 covalent bonds have been detected by NMR experiments in model helical molecules. It is demonstrated that this coupling can provide crucial structural information on the molecular conformation in solution. The coupling pathways have been visualised and analysed by computational methods. The conformational dependence of the coupling is explained in terms of orbital interactions.
Permanent Link: http://hdl.handle.net/11104/0289162