This research was funded by Fundação para a Ciência e a Tecnologia (FCT)/MCTES for the support to the research units QOPNA (FCT UID/QUI/00062/2019), LAQV-REQUIMTE (UIDB/50006/2020) and to the Portuguese NMR Network; and also supported by the projects PTDC/QUI-OUT/29373/2017, PTDC/DTP-FTO/2784/2014, PTDC/EQU-EPQ/29560/2017, through national funds (OE) and where applicable co-financed by the FEDER, by the Operational Program of Competitiveness and Internationalization (POCI), within the PT2020 Partnership Agreement. CQC research unit was financed by the project 007630 UID/QUI/00062/2019, co-funded by COMPETE2020-UE. F.M.C.-G. (SFRH/BPD/115561/2016), C.P.P. (SFRH/BPD/107881/2015), G.R.L. (SFRH/BD/104855/2014) and F.M. (PTDC/QUI-OUT/29373/2017 project) were supported by the referred individual grants by FCT. C.P.P.’s (CEECIND/01873/2017) and F.M.C.-G.’s (supported by PTDC/QUI-OUT/29373/2017 project) contracts were supported by FCT. NMR data were collected at the UC-NMR facility, supported by the following grants: REEQ/481/QUI/2006, RECI/QEQ-QFI/0168/2012 and CENTRO-07-CT62-FEDER-002012.