Synthesis and structures of 1,3,2,4,5-diazatriborolidines

• Published in: Inorganica Chimica Acta 2019-10, Vol.496, p.119038, Article 119038
• Main Authors: Fırıncı, Erkan, Sevinçek, Resul, Bursalı, Banu, Özgener, Hüseyin, Burgaz, Osman, Şen, Ceren, Aygün, Muhittin, Şahin, Yüksel
• Format: Article
• Language: English
• Subjects: Azaborolidine; Boron compounds; Crystal structure; Crystals; Derivatives; Diazatriborole; Diborane; Enthalpy; Enthalpy of formation; Heterocyclic; Heterocyclic compounds; Lithium; Nitrogen atoms; NMR; Nuclear magnetic resonance; Single crystals; Synthesis
• ISSN: 0020-1693; 1873-3255
• DOI: 10.1016/j.ica.2019.119038

New 1,3,2,4,5-diazatriborolidines were synthesized and characterized. These structures were examined in detail by single crystal X-ray diffraction and NMR spectroscopy. [Display omitted] •New 1,3,2,4,5-Diazatriborolidine derivatives were prepared.•The structures of these compounds were determined from their one- and two-dimensional 1H, 13C and 11B NMR spectra.•The X-ray analyses of these molecules were reported.•With theoretical calculation, the enthalpies of formation of these molecules was calculated. The derivatives of diazatriborolidine are a class of 5-membered heterocyclic compounds containing a ring with two nitrogen atoms and three boron atoms. The 1,3,2,4,5-diazatriborolidine derivatives were synthesized from 1,2-bis(N-lithium-arylamino)diborane(4) and dichloro-dimethylaminoborane with high yield. The structures of these new derivatives were determined using nuclear magnetic resonance (NMR) spectroscopy. The molecular structures of 3a, 3b, 3d, 4b and 4c were determined using single-crystal X-ray diffraction. Their structural features were discussed and compared with similar diazatriborolidines. In addition, the enthalpy of formation of B and N atoms containing five membered heterocycles were calculated theoretically for the first time. Also, an easy and efficient synthesis route has been reported for preparation of 1,3,2,4,5-diazatriborolidine derivatives.