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Synthesis, characterization and photophysical studies of a novel polycyclic diborane.
- Source :
-
New Journal of Chemistry . 1/14/2019, Vol. 43 Issue 2, p564-568. 5p. - Publication Year :
- 2019
-
Abstract
- Treatment of tetrakis(dimethylamino)diboron (B2(NMe2)4) with 1,4-bis(2-(triisopropylsilyl)ethynyl)naphthalene-2,3-diamine (1) generated a large NBBN polycyclic compound 1,1-B2{2,3-(NH)2-1,4-(iPr3SiC2)2C10H4} (2). The X-ray structure analysis reveals that 2 has a twisted structure (dihedral angle ≈ 21.75°) with a rather short B–B bond (1.667(9) Å). Theoretical calculations on 1,1-B2 isomer 2 and its counterpart 1,2-B2 isomer 3 have been conducted to understand their frontier orbital energy levels. Compound 2 shows strong emission with a high quantum yield of 0.52, despite the presence of many unbeneficial non-radiative behaviors such as the vibration of the TIPS groups and the rotation of the B–B single bond. [ABSTRACT FROM AUTHOR]
- Subjects :
- *POLYCYCLIC aromatic compounds
*DENSITY functional theory
Subjects
Details
- Language :
- English
- ISSN :
- 11440546
- Volume :
- 43
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- New Journal of Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 133854400
- Full Text :
- https://doi.org/10.1039/c8nj05550e