20.500.12556/RUL-185689 Revisiting ruthenium scorpionate chemistry : reactivity of bis(3,5-dimethylpyrazol-1-yl)acetic acid toward organoruthenium(II) precursors research data underlying the article Pregled kemije rutenijevih skorpionatov : reaktivnost bis(3,5-dimetilpirazol-1-il)ocetne kisline z organorutenijevimi(II) prekurzorji raziskovalni podatki, obravnavani v članku The reactivity of the scorpionate ligand bis(3,5-dimethylpyrazol-1-yl)acetic acid (L1H) toward organoruthenium(II) precursors was investigated. Reactions of chlorido and bromido $p$-cymene ruthenium dimers afforded the corresponding complexes in which L1H acts as a neutral κ$^2$-N,N' donor. In the presence of acetonitrile and base, ligand deprotonation was accompanied by displacement of the $p$-cymene ligand, yielding a tris(acetonitrile)ruthenium(II) complex containing a κ$^3$-N,N',O-coordinated scorpionate ligand. Under ethanol-containing reaction conditions, in situ esterification of the coordinated carboxylic acid group was observed, yielding crystals of a new ruthenium complex 4 containing the ethyl ester derivative of the ligand. The compounds 1–3 were characterized by NMR, IR, HRMS, while the crystal structures of compounds 1·H$_2$O, 3·MeOH, and 4 were determined by single-crystal X-ray diffraction. The results demonstrate the influence of reaction conditions on the coordination mode and transformation of bis(pyrazolyl)acetate ligands in ruthenium chemistry. Delo obravnava raziskovanje reaktivnosti škorpionatnega liganda bis(3,5-dimetilpirazol-1-il)ocetne kisline (L1H) z organorutenijevimi(II) prekurzorji. Pri reakcijah klorido- in bromido-$p$-cimenskih rutenijevih dimerov so nastali ustrezni kompleksi, v katerih L1 deluje kot nevtralni κ$^2$-N,N'-donorski ligand. V prisotnosti acetonitrila in baze je deprotonacijo liganda spremljala zamenjava $p$-cimenskega liganda, pri čemer je nastal tris(acetonitril)rutenijev(II) kompleks s κ$^3$-N,N',O-koordiniranim skorpionatnim ligandom. Pri reakcijskih pogojih v prisotnosti etanola smo opazili in situ esterifikacijo koordinirane karboksilne skupine, pri čemer so nastali kristali novega rutenijevega kompleksa 4, ki vsebuje etilestrski derivat liganda. Spojine 1–3 smo karakterizirali z NMR, IR in HRMS, kristalne strukture spojin 1·H$_2$O, 3·MeOH in 4 pa smo določili z rentgensko difrakcijo na monokristalu. Rezultati kažejo vpliv reakcijskih pogojev na način koordinacije in pretvorbo bis(pirazolil)acetatnih ligandov v kemiji rutenija. ruthenium scorpionate ligand p-cymene complex crystal structure rutenij skorpionatni ligand p-cimenski kompleks kristalna struktura true false false Angleški jezik Slovenski jezik Neznano 2026-08-18 10:47:02 2026-08-18 15:44:08 2026-08-20 04:19:34 0000-00-00 00:00:00 2026 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 README.docx README.docx README 1 0F1A020E5B602297B4207FAC1F7DCEA0 c387c580617003c04177d0e6db317541b460043a1eb648ab0b930fbccebac7c4 caa859fb-9bce-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=244603 Research_data.7z Research_data.7z Research data 1 19AAEC243D15C48E3F499093EF04B87C 9d1959a459d5b2883d9de6d7d3202a62a69fa9f9cb88de2467b6f65bda9c6e61 363c81e7-9ae1-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=244471 Fakulteta za kemijo in kemijsko tehnologijo Meritve in testi 0 0 0