All‐Boron Planar B₆ Ring in the Solid‐State Phase Ti₇Rh₄Ir₂B₈

Abstract

Now we are six: Planar B6 rings embedded in one‐dimensional Ti7 wheels have been found in the crystal structure of a solid‐state phase (Ti7Rh4Ir2B8) for the first time. First‐principles calculations indicated strong BB bonding but also significant interactions with the surrounding titanium atoms (see picture).

Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8− and Fe©B9−

“…The doubly aromatic character and the multi-center electron delocalization were confirmed by ring current calculations [18] and Adaptive Natural Density Partitioning (AdNDP) [19,20] analyses. Pure all-boron clusters have been proposed as novel building blocks of solid materials [21], and recently a remarkable Ti 7 Rh 4 Ir 2 B 8 compound containing planar B 6 ring has been synthesized [22,23]. Fehlner and co-workers [24,25] synthesized earlier the (Cp * ReH 2 )B 5 Cl 5 and (Cp * ) 2 B 6 H 4 Cl 2 triple-decker compounds, containing the first planar B 5 Cl 5 and B 6 H 4 Cl 2 structural fragments, respectively.…”

Sub‐Nano Clusters: The Last Frontier of Inorganic Chemistry

“…For example, the doubly-antiaromatic B 6 2-and doubly-aromatic B 8 2-were successfully coordinated to metals in the gas phase without losing their structure or bonding identity . The flat B 6 hexagon was incorporated into a solid, Ti 7 Rh 4 Ir 2 B 6 ( Figure 12A) (Fokwa and Hermus 2012). Flat highly-charged boranes made it into salts of transition metals, such as Re and Ru whose examples are shown in Figure 12B (Fehlner et al 2005;Guennic et al 2004).…”

“…For example, clusters can be catalytic, (Arenz et al 2006;Chrétien and Metiu 2006;Haruta and Date 2001;Heiz et al 1999;Kaden et al 2009;Lee et al 2004;Lopez and Norskov 2002;Molina and Hammer 2005;Remediakis et al 2005;Sanchez et al 1999;Vajda et al 2009;Valden et al 1998;Yoon et al 2005;Zhai et al 2010) some clusters can be incorporated into materials as building blocks or ligands, (Alexandrova et al 2005;Alexandrova et al 2006;Claridge et al 2009;Fehlner et al 2005;Fokwa and Hermus 2012; Guennic et al 2004;Jadzinsky et al 2007;Reber et al 2007) and certain clusters can be high-temperature superconductors (de Heer 1993;Kresin 2012;Kresin andOvchinnikov 2008, 2012). Albeit, these applications often result from exhaustive searches for suitable cluster-containing materials, without much rationale.…”

Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9− and C2B8−

“…tertiary boride compound, Ti 7 Rh 4 Ir 2 B 8 , showing that planar boron clusters can indeed exist in solid compounds. 35 Doping boron clusters with other elements widens the range of potential ligands and building blocks. The CB 6 2− , CB 7 − , and CB 8 clusters have been suggested theoretically to be hexa-, hepta-, and octacoordinated planar carbon species, respectively, though they are only local minima, not global minima.…”