In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

A series of mononuclear boron halides of the type LBX(2) [LH = N-phenyl-3,5-di-tert-butylsalicylaldimine, X = Cl (2), Br (3)] and LBX [LH2 = N-(2-hydroxyphenyl)-3,5-di-tert-butylsalicylaldimine, X = Cl (7), Br (8); LH2 = N-(2-hydroxyethyl)-3,5-di-tert-butylsalicylaldimine, X = Cl (9), Br (10); and LH2 = N-(3-hydroxypropyl)-3,5-di-tert-butylsalicylaldimine, X = Cl (11), Br (12)] were synthesized...

In the title dye compound, C(19)H(14)BF(7)N(2), the boron-dipyrromethene core lies on a crystallographic mirror plane which bis-ects the BF(2) and penta-fluoro-phenyl groups. The dihedral angle between the penta-fluoro-phenyl ring and the tricyclic system is thus 90° by symmetry. The sp(3)-hybridized B atom has a slightly distorted tetra-hedral coordination.

Calculations show that the unexpected low phenyl migratory aptitude observed in reactions of mixed alkyl-aryl boranes with benzylic sulfur ylides can be attributed to (1) a conformational issue, (2) the reduction of the usual neighbouring effect of the phenyl in the transition state by the benzylic nature of the migrating terminus, (3) steric hindrance suffered by the larger phenyl group migrat...

A new dual-boron-cored luminogen ligated with a nitrogen-containing multidentate ligand and four bulky phenyl rings was readily synthesized. The unique molecular structure endows this BN-containing luminogen with rich photophysical properties in either solution or in the solid state, including a large Stokes shift, aggregation induced emission activity and reversible piezochromism. Furthermore,...

A new series of four-ring-fused π-conjugated anilido-benzoxazole boron difluoride (ABB) dyes were synthesized by employing an unsymmetrical bidentate ligand under a mild reaction condition. X-ray structural analysis demonstrated that the four-ring-fused π-conjugated skeleton is nearly coplanar, and almost orthogonal to the side anilido phenyl group with dihedral angles of 74-86°. The synthesize...

The title compound, C(13)H(13)BN(2)O, is one in a series of 1,3,2-benzodiaza-boroles featuring a 2-meth-oxy-phenyl substitution at the 2-position in the nitro-gen-boron heterocyle. The dihedral angle between the mean planes of the benzodiaza-borole and 2-meth-oxy-phenyl ring systems is 21.5 (1)°. There is an inter-molecular hydrogen bond between one of the NH groups and the meth-oxy O atom. Thi...

In the title compound, C(19)H(18)BF(2)IN(2), which is a boron-dipyrromethene (BODIPY) derivative, the BODIPY mean plane forms dihedral angles of 88.95 (4) and 78.21 (3)° with the F/B/F and 4-iodo-phenyl planes, respectively.