Syntheses, crystal structures, and electronic structure of the boron halides B9X
9 (X = Cl, Br, I)

Hönle, Wolfgang; Grin, Yuri; Burkhardt, Armin; Wedig, Ulrich; Schultheiss, Martin; von Schnering, Hand Georg; Kellner, Ralf; Binder, Herbert

doi:10.1006/jssc.1997.7309

アイテム詳細

登録内容を編集ファイル形式で保存

一時保存へ追加

タグ情報を表示リリース履歴を表示詳細要約

公開

学術論文

Syntheses, crystal structures, and electronic structure of the boron halides B₉X₉ (X = Cl, Br, I)

MPS-Authors

There are no MPG-Authors in the publication available

External Resource

There are no locators available

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

フルテキスト (公開)

公開されているフルテキストはありません

付随資料 (公開)

There is no public supplementary material available

引用

Hönle, W., Grin, Y., Burkhardt, A., Wedig, U., Schultheiss, M., von Schnering, H. G., Kellner, R., & Binder, H. (1997). Syntheses, crystal structures, and electronic structure of the boron halides B₉X₉ (X = Cl, Br, I). Journal of Solid State Chemistry, 133(1), 59-67. doi:10.1006/jssc.1997.7309.

引用: https://hdl.handle.net/11858/00-001M-0000-0019-9191-0

要旨

The crystal structures of B9Cl9 and B9Br9 have been determined with X-ray single crystal structure analysis (subcell: R (3) over bar m (166); Z = 6; a = 1259.6(5) pm, c = 1700.1(5) pm (B9Cl9); a = 1317.5(3) pm, c = 1777.6(3) pm (B9Br9)). Both compounds are isotypic and consist of a tricapped trigonal B-9 prism (C-3v) with different bond lengths for the triangles (180.0 pm; 176.5 pm), edges (205.7 pm; 201.0 pm), and caps (174.0 pm; 173.5 pm), For better understanding of the bonding in these clusters the electronic structures of the nonaboranes(9), the dianion B9Br92-, B8Cl82-, H2B9Br9 (three types), and B10H14 have been calculated and compared with respect to their bond distances and configurations together with the experimental results, The calculation of the Electron Localization Function (ELF) of these molecules and anions shows that the 2e-3c bonds play a dominant role in these polyhedral cages, The changes in bonding going from the non-Wade cluster B9Br9 with 18 cluster electrons to the Wade cluster B9Br92- with 20 cluster electrons can be visualized by the ELF. (C) 1997 Academic Press.