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New ways to a series of parent representatives of the eight-, nine-, and ten-vertex monocarbaborane family
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SYSNO ASEP 0106540 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title New ways to a series of parent representatives of the eight-, nine-, and ten-vertex monocarbaborane family Title Nové cesty k serii mateřských representantů 8-, 9- a 10-vrcholové rodiny monokarbaboranů Author(s) Brellochs, B. (DE)
Bačkovský, Jaroslav (UACH-T)
Štíbr, Bohumil (UACH-T) RID, SAI, ORCID
Jelínek, Tomáš (UACH-T)
Holub, Josef (UACH-T) SAI, RID, ORCID
Bakardjiev, Mario (UACH-T) SAI, RID
Hnyk, Drahomír (UACH-T) SAI, RID, ORCID
Hofmann, M. (DE)
Cásařová, I. (CZ)
Wrackmeyer, B. (DE)Source Title European Journal of Inorganic Chemistry. - : Wiley - ISSN 1434-1948
-, č. 18 (2004), s. 3605-3611Number of pages 7 s. Language eng - English Country DE - Germany Keywords boranes ; carboranes ; geometry optimization Subject RIV CA - Inorganic Chemistry R&D Projects IBS4032007 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) LN00A028 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z4032918 - UACH-T Annotation The conditions for a reaction between nido-B10H14 (1) and aqueous formaldehyde in an alkaline solution have been optimized, which resulted in the isolation of the [arachno-6-CB9H14](-) anion (2) in 52% yield. Anion 2 was used as a convenient source for the synthesis of a series of basic monocarbaborane compounds. Thus, oxidation of 2 (Et4N+ salt) with I-2 in CH2Cl2 in the presence of Et3N at room temperature afforded the [nido-6-CB9H12](-) anion (3). Acidification of anion 2 (generated in situ from borane 1) with hydrochloric acid, in the presence of both FeCl3-6H(2)O and CH2O, led to the formation of arachno-4-CB8H4 (4), from which nido-1-CB8H12 (5) was obtained by dehydrogenation at 200 degreesC in quantitative yield. Compound 4 can easily be converted into the [closo-1-CB7H8](-) anion (6) in 71% yield via reaction with Et3N and I-2 in THF at -78 degreesC. Anion 6 is also formed in 75% yield by treatment of carborane 5 with Et3N in refluxing toluene. The [closo-1-CB8H9](-) anion (7) was isolated by iodination of carborane 5 in the presence of Et3N (yield 81 %) or by the heating of the PPh4+ salt of anion 2 at 220 degreesC (yield 95%). The structure of anion 2 was determined by an X-ray diffraction study and the structures of compounds 2, 4, 5, and 7 were geometry optimized at the RMP2(fc)/6-31G* level. The NMR spectroscopic measurements are in some cases complemented by unpublished C-13 NMR spectroscopic data. Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2005
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