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Crystallization and Structural Linkages of COFs
Published in Atsushi Nagai, Covalent Organic Frameworks, 2019
Borazine (H3B3N3H3), isolated by Stock and Pohland in 1926, is often dubbed as “inorganic benzene” due to its similarities with benzene: they are both liquid at RT, show equalized bond lengths (1.40 Å for benzene and 1.44 Å for borazine, with the latter being between B–N [single bond] at 1.51 and B=N [double bond] at 1.31 Å) and share a planar hexagonal structure. However, borazine shows only a weakly aromatic character and displays a great tendency to undergo hydrolysis to form boric acid and ammonia in the presence of moisture. Another difference is the string polar character of the B–N bonds resulting from the electron donation of the nitrogen atoms to the electrophilic boron centers.
Systems Based on BN
Published in Tomashyk Vasyl, Ternary Alloys Based on III-V Semiconductors, 2017
It could also be prepared by addition of HCl to borazole, followed by reduction with NaBH4 in diglyme according to the equation 2(B3N3H6⋅3HCl) + 6NaBH4 = 2B3N3H12 + 6NaCl + 3B2H6 (Dahle and Schaeffer 1961). Although the material sublimed in vacuum readily at 100°C, the substance did not melt and no measurable vapor pressure was exhibited up to 150°C. At this temperature, slow decomposition with evolution of H2 began.
Probing the structural, bonding, electronic and magnetic properties of transition–metal borazine systems: Co m (borazine) n (m = 1, 2; n = 1–3)
Published in Molecular Physics, 2020
Peng Shao, Li Ping Ding, Dao-Bin Luo, Cheng Lu
Borazine, B3N3H6, which is isoelectronic and isostructural to C6H6 and is regarded as inorganic benzene, may be used to design molecular devices with the similar physical properties as its C6H6 counterparts. However, little has been focused on similar complex borazine (B3N3H6) [21–24]. Based on the isoelectronic relationship and similar structural properties between borazine and benzene, we thus expect that the interesting properties, which are similar to those of TM-benzene complexes, for TM-borazine complexes occur. Furthermore, borazine exhibits less aromaticity than benzene [25], which has been verified by the previous studies [26,27]. Will this bring some different features in TM-borazine complexes from TM-benzene complexes? Having this in mind, we investigated neutral and anionic Com(borazine)n (m = 1, 2 and n = 1–3) complexes. Such investigation will allow us to have a better understanding of the interaction of nanotubes with aromatic compounds mediated by metals, considering that borazine is the basic building block of boron nitride nanotubes (BNNT) [28].
Organic superalkalis with closed-shell structure and aromaticity
Published in Molecular Physics, 2018
Borazine (B3N3H6) is an inorganic analogue of C6H6. Lithiated borazine (B3N3Li6) has also been reported to be star-like structure [46]. Our recent study [47] shows that the VIE of B3N3Li6 is 4.25 eV, which is comparable to that of C6Li6. Therefore, it seems interesting to compare the bonding feature of C6Li6 and B3N3Li6. We have calculated the molecular graph of both C6Li6 and B3N3Li6 using quantum theory of atoms in molecule (QTAIM) method [48,49] as displayed in Figure 4. In the framework of QTAIM, the bonding between two atoms is characterised by a bond critical point (BCP), shown by green points in Figure 4. In the molecular graph of C6Li6, we obtain two BCPs for each Li atom, which correspond to C–Li bonds. Therefore, C6Li6 is indeed a star-like structure in which Li atoms interact with two neighbouring C atoms of the ring. Likewise, we find two BCPs for each Li atoms in B3N3Li6. In contrast to C6Li6, both BCPs in B3N3Li6 correspond to N–Li bonds, not to B–Li bonds. Thus, there exists no B–Li bond in B3N3Li6 according to QTAIM analysis. Consequently, B3N3Li6 is not strictly star-like; rather it appears as a fan-like structure. This is evidently due to large electronegativity difference between B and N atoms in B3N3Li6, which is not the case for C6Li6.