| Autor: |
Hollenwäger D; Department of Chemistry, University of Munich (LMU), Munich 81377, Germany., Kölbl N; Department of Chemistry, University of Munich (LMU), Munich 81377, Germany., Staudacher D; Department of Chemistry, University of Munich (LMU), Munich 81377, Germany., Bockmair V; Department of Chemistry, University of Munich (LMU), Munich 81377, Germany., Kornath AJ; Department of Chemistry, University of Munich (LMU), Munich 81377, Germany. |
| Jazyk: |
angličtina |
| Zdroj: |
Inorganic chemistry [Inorg Chem] 2024 Oct 14; Vol. 63 (41), pp. 19240-19248. Date of Electronic Publication: 2024 Oct 01. |
| DOI: |
10.1021/acs.inorgchem.4c02868 |
| Abstrakt: |
The molecules cyanoacetylene and dicyanoacetylene detected in the atmosphere of Saturn's largest moon Titan were investigated in superacidic media X F/ M F 5 ( X = H, D; M = As, Sb), X F/GeF 4 , and X F/BF 3 . Cyanoacetylene is obtained as a monoprotonated salt, while only the diprotonated salt of dicyanoacetylene has been isolated. The salts were characterized by vibrational spectroscopy, NMR spectroscopy, and single-crystal X-ray diffraction. The protonations lead to a significant shortening of the C≡N bond. The salts of [C 3 HXN][SbF 6 ] ( X = H, D) show very rare coupled oscillations in vibrational spectroscopy. The experimental results are discussed together with quantum chemical calculations at the M062X/aug- cc -pVTZ level of theory. The - M and - I effects of the C≡N moiety decrease by protonation of the nitrile moiety. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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