Ansa-metallocenes with BN and BP linkages: the importance of NH⋯FC hydrogen bonding in pentafluorophenyl boron compounds

Experimental and Theoretical Studies of the Potential Interconversion of the Amine–Borane iPr2NH·BH(C6F5)2 and the Aminoborane iPr2N=B(C6F5)2 Involving Hydrogen Loss and Uptake

“…The angles around B (1) and N(1) summed to 438 and 448°, respectively, which were consistent with the expected tetrahedral geometries at each centre. The B(1)-N(1) bond length of 1.628(3) Å falls within the range observed for both tertiary aminesecondary borane adducts [1.578 (8) [61][62][63][64] and is therefore unremarkable. The C(1)-N(1)-B(1)-C(7) dihedral angle of 179.32°in-ferred a staggered conformation upon the molecule, as expected on the basis of steric arguments.…”

Electrophilic reactivity of the zwitterionic titanocene monohalides Cp[η5-C5H4B(C6F5)3]TiX (X=Cl, Br): Reactions with water and methanol

“…The values of the X-ray structural parameters obtained for 3 AE 2C 6 H 5 CH 3 in our study are close to those for 3 reported in [8]. For other complexes containing C 5 H 4 BX 2 and C 5 H 4 B(C 6 F 5 ) 2 ligands, see, e.g., [32][33][34][35].…”

Hydrogen Bonding and Lewis Acid–Base Interactions in the System Bis(pentafluorophenyl)borinic Acid / Methanol

“…The same occurs for the three high-field ortho signals for 2c and 2b [11] and is in line with what was previously observed in similar systems for fluorine atoms involved in intramolecular X-H···F-C hydrogen bonding. [21] 1 H and 19 F EXSY experiments [ Figure 3 and Figure S3 (Supporting Information), respectively] showed exchange cross-peaks between 3c and 1 m , a behavior similar to that previously observed for 3a. [9] At subsequent stages of the titrations at 183 K, a third product appeared in progressively increasing concentration.…”