20.500.12556/RUL-141874 Structural diversity and magnetic properties of copper(II) quinaldinate compounds with amino alcohols The reactions between [Cu(quin)$_2$(H$_2$O)] (quin$^–$ = the anionic form of quinoline-2-carboxylic acid) and a series of aliphatic amino alcohols have yielded structurally very diverse copper(II) complexes, labelled a–g. Single-crystal X-ray structure analysis has revealed either intact amino alcohol molecules or amino alcoholate ions serving as ligands. In type a complexes, the amino alcohols are bound in a monodentate manner via NH$_2$. Engagement of both functional groups in coordination was observed for types b and e (a bidentate chelating mode) and type c (a bidentate bridging one) complexes. In view of the strong bidentate chelating coordination of quinaldinate in [Cu(quin)$_2$(H$_2$O)], the formation of homoleptic amino alcohol complexes e was not anticipated. Equally surprising was the transformation of a mononuclear starting material into a one-dimensional (1D) coordination polymer, [Cu(quin)$_2$]$_n$ (g). Spontaneous deprotonation of some amino alcohols and coordination of, thus formed, amino alcoholates via both donors also took place. Dinuclear complexes (d) contained two bridging amino alcoholates, whilst bidentate chelating mode was observed for type f. Interestingly, the dinuclear complex exists as two isomers which differ in the position of quinaldinates with respect to the Cu(μ-OR)$_2$Cu core. DFT calculations on isolated syn- and anti-[Cu$_2$(quin)$_2$(3a1pO)$_2$] (3a1pO$^–$ = anion of 3-amino-1-propanol) have shown the syn isomer to be more stable. The explanation lies in the intramolecular π⋯π stacking of quinaldinates, possible only in this isomer. Magnetic susceptibility measurements revealed antiferromagnetic interactions between S = 1/2 copper(II) spins in all the studied compounds except in [Cu(quin)$_2$]$_n$ (g) for which weak ferromagnetic couplings are detected. copper(II) complexes quinaldinate amino alcohols crystal structure magnetic properties DFT calculations bakrovi(II) kompleksi kinaldinat amino alkoholi kristalne strukture magnetne lastnosti DFT izračuni true false true Angleški jezik Slovenski jezik Članek v reviji 2022-10-10 12:17:48 2022-10-10 12:17:49 2022-11-08 03:56:52 0000-00-00 00:00:00 2022 0 0 Str. 6899-6920 iss. 15 Vol. 46 21 Apr. 2022 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 546.562 1369-9261 10.1039/D2NJ00296E 104885763 d2nj00296e.pdf d2nj00296e.pdf 1 52B750531BDDA8283B0932036079F10B 25ff6ed97df172827c4346eb17d3db645c02e6116396fbf25418c4d0ea01ebd8 d0001bac-5ea5-11ed-9c94-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=163779 https://pubs.rsc.org/en/content/articlelanding/2022/nj/d2nj00296e 1 c30f56cf-4884-11ed-9c94-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=163016 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0