119861-51-7

Basic information

• Product Name: Borate(1-), tetrakis(3,5-difluorophenyl)-, sodiuM(1:1)
• Synonyms: Borate(1-), tetrakis(3,5-difluorophenyl)-, sodiuM(1:1)
• CAS NO: 119861-51-7
• Molecular Formula: C₂₄H₁₂BF₈*Na
• Molecular Weight: 489.1638956
• Mol File: 119861-51-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Borate(1-), tetrakis(3,5-difluorophenyl)-, sodiuM(1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: Borate(1-), tetrakis(3,5-difluorophenyl)-, sodiuM(1:1)(119861-51-7)
• EPA Substance Registry System: Borate(1-), tetrakis(3,5-difluorophenyl)-, sodiuM(1:1)(119861-51-7)

Safety Data

• Hazardous Substances Data: 119861-51-7(Hazardous Substances Data)

Upstream product

• 13755-29-8 sodium tetrafluoroborate 
• 461-96-1 3,5-difluorobromobenzene 
• 109-63-7 boron trifluoride diethyl etherate 

Relevant articles and documents

Controlling Structure and Reactivity in Cationic Solid-State Molecular Organometallic Systems Using Anion Templating

The role that the supporting anion has on the stability, structure, and catalytic performance, in solid-state molecular organometallic systems (SMOM) based upon [Rh(Cy2PCH2CH2PCy2)(η2η2-NBD)][BArX4], [1-NBD][BArX4], is reported (X = Cl, F, H; NBD = norbornadiene). The tetra-aryl borate anion is systematically varied at the 3,5-position, ArX= 3,5-X2C6H3, and the stability and structure in the solid-state compared with the previously reported [1-NBD][BArCF34] complex. Single-crystal X-ray crystallography shows that the three complexes have different packing motifs, in which the cation sits on the shared face of two parallelepipeds for [1-NBD][BArCl4], is surrounded by eight anions in a gyrobifastigium arrangement for [1-NBD][BArF4], or the six anions show an octahedral cage arrangement in [1-NBD][BArH4], similar to that of [1-NBD][BArCF34]. C-X···X-C contacts, commonly encountered in crystal-engineering, are suggested to be important in determining structure. Addition of H2 in a solid/gas reaction affords the resulting σ-alkane complexes, [Rh(Cy2PCH2CH2PCy2)(η2η2-NBA)][BArX4] [1-NBA][BArX4] (NBA = norbornane), which can then proceed to lose the alkane and form the zwitterionic, anion-coordinated, complexes. The relative rates at which hydrogenation and then decomposition of σ-alkane complexes proceed are shown to be anion dependent. [BArCF34]- promotes fast hydrogenation and an indefinitely stable σ-alkane complex. With [BArH4]- hydrogenation is slow and the σ-alkane complex so unstable it is not observed. [BArCl4]- and [BArF4]- promote intermediate reactivity profiles, and for [BArCl4]-, a single-crystal to single-crystal hydrogenation results in [1-NBA][BArCl4]. The molecular structure derived from X-ray diffraction reveals a σ-alkane complex in which the NBA fragment is bound through two exo Rh···H-C interactions-different from the endo selective binding observed with [1-NBA][BArCF34]. Periodic DFT calculations demonstrate that this selectivity is driven by the microenvironment dictated by the surrounding anions. [1-NBA][BArX4] are catalysts for gas/solid 1-butene isomerization (298 K, 1 atm), and their activity can be directly correlated to the stability of the σ-alkane complex compared to the anion-coordinated decomposition products.

Crystalline ion-association substance, process for producing the same, and latent photopolymerization initiator

A photo-latent initiator for photopolymerization comprises crystalline ion-association substance having the general formula (I): [{C5(R1)n}2mMm]1+[{B(R2)4}?