Titolo:  Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion), and CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)
Data di pubblicazione:  2021
Data di prima pubblicazione on-line:  2021
Autori: 
Autori:  Isaia, Francesco; Garau, Alessandra; Castellano, Carlo; Demartin, Francesco; Carla Aragoni, M.; Arca, Massimiliano; Caltagirone, Claudia; Lippolis, Vito; Pivetta, Tiziana
Numero degli autori:  9
Lingua:  Inglese
Presenza coautori internazionali:  no
Rivista:  NEW JOURNAL OF CHEMISTRY
Volume:  45
Fascicolo:  6
Pagina iniziale:  3263
Pagina finale:  3270
Numero di pagine:  8
Digital Object Identifier (DOI):  http://dx.doi.org/10.1039/D0NJ05601D
Codice identificativo Scopus:  2-s2.0-85100881446
Codice identificativo ISI:  WOS:000618236500040
Abstract:  The reaction in water between CsOH and parabanic acid (PBH2) leads to the formation of the caesium salt of the oxalurate anion Cs(OXL), while the reaction with cyanuric acid (CYH3) leads to the formation of the CsOH co-crystal of cyanuric acid Cs3(CYH3)4(OH)3. The X-ray crystal structures of these compounds show that both the organic moieties OXL and CYH3 form robust homomeric ribbons based on strong and articulated N–HO hydrogen bonds. The stabilization of the Cs+ ions can occur regardless of whether the ribbon of organic units is negatively charged or neutral. In Cs(OXL), each cation displays nine-fold coordination with Cs–O distances in the range of 2.975(3)–3.601(4) Å; in Cs3(CYH3)4(OH)3, two of the Cs+ cations (Cs1 and Cs2) display a nine-fold coordination with Cs–O distances in the range of 3.007(9)–3.823(13) Å and one (Cs3) is ten-fold coordinated with Cs–O distances in the range of 3.161(14)– 3.653(17) Å. The molecular electrostatic potential maps of OXL and di-OXL anions have been reported and discussed.
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