Synthesis, crystal structure, DFT studies and catalytic activity of an N-(2,2-dimethyl-1,3-dioxolane-4yl-methyl)benzimidazole ruthenium(II) hydrate complex
Küçük Resim Yok
Tarih
2023
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In this study, the new N-coordinated benzimidazole ruthenium(II) complex was synthesized. The complex was fully characterized by FT-IR, 1 H and 13 C NMR spectroscopic methods. The molecular structure of the complex has been verified by X-ray crystallography. Besides, theoretical structure and spectroscopic data were obtained using density functional theory (DFT/HSEH1PBE) method with the cc-pVDZ basis set for C, H, N, O and Cl atoms, and the LANL2DZ basis set for the metal atom, and compared with the experimental data. This complex has also been tested for the N-alkylation of aromatic amines with arylmethyl alcohols under neat conditions in the presence of KOBut.(c) 2023 Elsevier B.V. All rights reserved.
Açıklama
Anahtar Kelimeler
N-heterocyclic carbene, Ruthenium, Crystallography, DFT, N-alkylation
Kaynak
Journal of Molecular Structure
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
1281
