التفاصيل البيبلوغرافية
| العنوان: |
Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12. |
| المؤلفون: |
Malischewski M; Freie Universität Berlin , Institut für Chemie und Biochemie, Fabeckstrasse 34-36, 14195 Berlin, Germany., Bukovsky EV; Department of Chemistry, Colorado State University , Fort Collins, Colorado 80523 United States., Strauss SH; Department of Chemistry, Colorado State University , Fort Collins, Colorado 80523 United States., Seppelt K; Freie Universität Berlin , Institut für Chemie und Biochemie, Fabeckstrasse 34-36, 14195 Berlin, Germany. |
| المصدر: |
Inorganic chemistry [Inorg Chem] 2015 Dec 07; Vol. 54 (23), pp. 11563-6. Date of Electronic Publication: 2015 Nov 25. |
| نوع المنشور: |
Journal Article; Research Support, Non-U.S. Gov't |
| اللغة: |
English |
| بيانات الدورية: |
Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: PubMed not MEDLINE |
| أسماء مطبوعة: |
Original Publication: [Easton, Pa.] American Chemical Society. |
| مستخلص: |
The B12F12(-) radical anion was generated by oxidation of [CoCp2(+)]2B12F12(2-) with AsF5 in SO2. In the crystal structure of [CoCp2(+)]B12F12(-), the anion displays a lowered symmetry (D2h) instead of an Ih-symmetric dianion as a result of Jahn-Teller distortion. Moreover, shortening of the B-F bonds and subtle changes of the B-B bonds are observed. DFT calculations show that, for the unknown neutral B12F12, unprecedented structural isomers [e.g., octahedral B6(BF2)6] are energetically favored instead of an icosahedral structure. The structures and energetics are compared with those of the analogous chlorine compounds. |
| تواريخ الأحداث: |
Date Created: 20151126 Date Completed: 20160401 Latest Revision: 20151207 |
| رمز التحديث: |
20231215 |
| DOI: |
10.1021/acs.inorgchem.5b02256 |
| PMID: |
26603819 |
| قاعدة البيانات: |
MEDLINE |
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