Experimental and computational investigation of the bond energy of thorium dicarbonyl cation and theoretical elucidation of its isomerization mechanism to the thermodynamically most stable isomer, thorium oxide ketenylidene cation, OTh+CCO
| العنوان: | Experimental and computational investigation of the bond energy of thorium dicarbonyl cation and theoretical elucidation of its isomerization mechanism to the thermodynamically most stable isomer, thorium oxide ketenylidene cation, OTh+CCO |
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| المؤلفون: | Arjun Kafle, P. B. Armentrout |
| المصدر: | Physical Chemistry Chemical Physics. 24:842-853 |
| بيانات النشر: | Royal Society of Chemistry (RSC), 2022. |
| سنة النشر: | 2022 |
| مصطلحات موضوعية: | General Physics and Astronomy, Physical and Theoretical Chemistry |
| الوصف: | The bond energy of (CO)Th+–CO is measured for the first time via collision-induced dissociation of thorium di-carbonyl cation, Th(CO)2+, with Xe using a guided ion beam tandem mass spectrometer and compares well with a CCSD(T)/CBS theoretical value. |
| تدمد: | 1463-9084 1463-9076 |
| DOI: | 10.1039/d1cp04263g |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::712ee3bd4d12b53b8e4e51b0ae7dc2c6 https://doi.org/10.1039/d1cp04263g |
| Rights: | CLOSED |
| رقم الانضمام: | edsair.doi.dedup.....712ee3bd4d12b53b8e4e51b0ae7dc2c6 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 14639084 14639076 |
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| DOI: | 10.1039/d1cp04263g |