Li2[SeC2Se]·2NH3: A Crystalline Ammoniate with a -Se-C≡C-Se- Dianion.
Inorg Chem
; 61(46): 18769-18778, 2022 Nov 21.
Article
em En
| MEDLINE
| ID: mdl-36356222
ABSTRACT
Reaction of Li2C2 with elemental selenium in a molar ratio of 12 in liquid ammonia led to the formation of the ammoniate Li2[SeC2Se]·2NH3. Its crystal structure was solved and refined from high-resolution synchrotron powder diffraction data (P21/c, Z = 4). It contains the -Se-C≡C-Se- anion, unprecedented in a crystalline material, whose existence was corroborated by IR/Raman spectra and electronic-structure theory, showing an almost perfect agreement with calculated spectra. Elaborated magnetic-bottle and velocity-map imaging photoelectron spectroscopic investigations show that the -Se-C≡C-Se⢠radical anion can be transferred to the gas phase, where it was analyzed by NIPE (Negative Ion Photoelectron) and VMI (Velocity-Map Imaging) spectra, which correlate nicely with simulated spectra based on 2Πu â 3Σg- and 2Πu â 1Σg+ transitions including spin-orbit couplings.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2022
Tipo de documento:
Article