Mahalingam Sureshkumar, Murugesan Arul, Thiruppathiraja Thangaraj, Lakshmipathi Senthilkumar, Makhanya Talent Raymond, Gengan Robert M
Department of Chemistry, Durban University of Technology, Durban, 4001, South Africa.
Department of Physics, Bharathiar University, Coimbatore, 641 046, TN, India.
Heliyon. 2022 Nov 8;8(11):e11480. doi: 10.1016/j.heliyon.2022.e11480. eCollection 2022 Nov.
A new zinc-based boron nitride (Zn-BNT) material was synthesized from boron nitride and zinc acetate in 95% yield. The morphological and spectroscopic properties of Zn-BNT were elucidated by SEM, XRD, BET, DSC-TGA, and FT-IR. Zn-BNT catalyzed the synthesis of benzimidazoles () through a reaction between -phenylenediamine and different aromatic aldehydes under microwave conditions for 15 min. The compounds were purified by silica-gel chromatography. The synthesized compounds were characterized by FT-IR, H-NMR, C-NMR, and elemental analysis. Zn-BNT was reused eight times with only a 5% loss of catalytic activity. Furthermore, 2-(4-fluorophenyl)-1H-benzo[d]imidazole ( was selected for a computational study of the IR and NMR spectrum, which matched the experimentally generated spectra. The HOMO-LUMO gap was 4.48, and the Fukui function analysis showed high activity in the reactive sites.
一种新型的锌基氮化硼（Zn-BNT）材料由氮化硼和醋酸锌合成，产率为95%。通过扫描电子显微镜（SEM）、X射线衍射（XRD）、比表面积分析仪（BET）、差示扫描量热仪-热重分析仪（DSC-TGA）和傅里叶变换红外光谱仪（FT-IR）对Zn-BNT的形态和光谱性质进行了阐释。Zn-BNT在微波条件下催化邻苯二胺与不同芳香醛之间的反应15分钟，合成了苯并咪唑类化合物。这些化合物通过硅胶柱色谱法进行纯化。通过傅里叶变换红外光谱仪（FT-IR）、氢核磁共振（H-NMR）、碳核磁共振（C-NMR）和元素分析对合成的化合物进行了表征。Zn-BNT可重复使用八次，催化活性仅损失5%。此外，选择2-(4-氟苯基)-1H-苯并[d]咪唑进行红外光谱和核磁共振光谱的计算研究，计算结果与实验所得光谱相匹配。最高已占分子轨道（HOMO）-最低未占分子轨道（LUMO）能隙为4.48，福井函数分析表明反应位点具有高活性。
