Revisiting ruthenium scorpionate chemistry : reactivity of bis(3,5-dimethylpyrazol-1-yl)acetic acid toward organoruthenium(II) precursors : research data underlying the article

Rebernik Gracej, Mihaela (author), Kitanovski, Nives (author), Kjun, Jakob (author)

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.

• Language: English
• Keywords: ruthenium, scorpionate ligand, p-cymene complex, crystal structure
• Typology: 2.20 - Complete scientific database of research data
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Year: 2026
• PID: 20.500.12556/RUL-185689
• Data col. methods: Measurements and tests
• Publication date in RUL: 18.08.2026

Licences

• License: CC BY 4.0, Creative Commons Attribution 4.0 International
• Link: http://creativecommons.org/licenses/by/4.0/
• Description: This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.

Secondary language

• Language: Slovenian
• Title: Pregled kemije rutenijevih skorpionatov : reaktivnost bis(3,5-dimetilpirazol-1-il)ocetne kisline z organorutenijevimi(II) prekurzorji : raziskovalni podatki, obravnavani v članku

Abstract

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.

• Keywords: rutenij, skorpionatni ligand, p-cimenski kompleks, kristalna struktura