0496365 - ÚOCHB 2019 RIV GB eng J - Článek v odborném periodiku
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
Grant CEP: GA ČR(CZ) GA16-08294S; GA ČR(CZ) GA18-11851S
Institucionální podpora: RVO:61388963
Klíčová slova: NMR spectroscopy * through-space interaction * helicenes
Obor OECD: Physical chemistry
Impakt faktor: 9.556, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0289162