ChemInform Abstract: Crystal Structure of Difluorochloronium Tetrafluoroborate, ClF+ 2BF‐ 4, at ‐120 °C.

Abstract

The novel title compound (III) is obtained only under strictly anhydrous conditions (yield not given).

Difluorochloronium(III) Fluoridometallates – from Molecular Building Blocks to (Helical) Chains

“…The M –F ··· Cl interactions lead to either the formation of molecular building units in (ClF 2 [BF 4 ]) 2 , (ClF 2 [AuF 4 ]) 2 and (ClF 2 [Ta 2 F 11 ]) 2 , or to chains in ClF 2 [ M F 6 ], M = Nb, Ta, Ru, Os, Ir, As, Sb, Bi. [ 9,22 ]…”

“…[ 70 ] The crystal structures of ClF 2 [AsF 6 ] and ClF 2 [BF 4 ] were taken from previous studies. [ 9,22 ] The reciprocal space was sampled with the following Monkhorst‐Pack‐type k ‐point grids: ClF 2 [AsF 6 ]: 2×3×3, ClF 2 [IrF 6 ]: 4×5×3, ClF 2 [SbF 6 ]: 5×5×3, ClF 2 [BiF 6 ]: 5×5×3, ClF 2 [NbF 6 ]: 3×5×3, ClF 2 [TaF 6 ]: 3×5×3, ClF 2 [OsF 6 ]: 2×4×2, ClF 2 [RuF 6 ]: 1×5×2, ClF 2 [Ta 2 F 11 ]: 3×3×2, ClF 2 [AuF 4 ]: 5×3×2, ClF 2 [BF 4 ]: 4×3×3. For the evaluation of the Coulomb and exchange integrals (TOLINTEG), tight tolerance factors of 8, 8, 8, 8, 16 were used for all calculations.…”

“…Crystal structures were reported for ClF 2 [BF 4 ] and ClF 2 [ M F 6 ] ( M = Nb, Ta, Ru, Os, As, Sb, Bi). [ 9,10,22–26 ] In the reported crystal structure of ClF 2 [OsF 6 ], a disordered ClF 2 + cation was proposed, which prompted us to redetermine some of the reported crystal structures.…”

Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid

“…Binary halogen fluorides and their ions are ideally suited for studying molecular structures and bonding. − They cover a wide range of oxidation states from +I to +VII and coordination numbers from one to eight, including many examples of hypervalent compounds . The following binary chlorine fluorides are known: ClF, ClF 3 , and ClF 5 ; they are amphoteric and, with strong Lewis acids, they can form adducts containing the Cl 2 F + , − ClF 2 + , − and ClF 4 + 21,22 cations, respectively. Crystal structures, however, are known only for the ClF 2 + salts. − Although these structures confirm the predominantly ionic nature of the adducts, strong interactions between the ClF 2 + cations and the anions were observed which result in infinite chains, distort some of the ions and complicate the vibrational spectra.…”

A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls

“…There are some compounds that can be used to model hypothetical polymorphs. For example, boron trifluoride forms in the solid state a 3D network through the intermolecular B−F···B bridges and the boron atoms show a total coordination number of five with nearly trigonal bipyramidal geometry. , An analysis of the network shows that the 3D structure is equivalent to the well-known ABW zeolite type (4·6·4·6·6·8 2 ) and may be a starting point to predict new polymorphs of the group 13 trimethyl derivatives using a computational chemistry approach.…”