Synthesis and characterization of new N-heterocyclic carbene ligands: 1,3-Bis(acetamide)imidazol-3-ium bromide and 3-(acetamide)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide

TÜRKYILMAZ, MURAT; ULUÇAM, GÜHERGÜL; AKTAŞ, ŞABAN; OKAN, ŞEVKET

doi:10.1016/j.molstruc.2017.02.022

Synthesis and characterization of new N-heterocyclic carbene ligands: 1,3-Bis(acetamide)imidazol-3-ium bromide and 3-(acetamide)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide

TÜRKYILMAZ M., ULUÇAM G., AKTAŞ Ş., OKAN Ş. E.

Journal of Molecular Structure, cilt.1136, ss.263-270, 2017 (SCI-Expanded, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 1136
Basım Tarihi: 2017
Doi Numarası: 10.1016/j.molstruc.2017.02.022
Dergi Adı: Journal of Molecular Structure
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.263-270
Anahtar Kelimeler: Antibacterial, Carbene, Cytotoxicity, Density functional theory, Imidazole, XRD
Trakya Üniversitesi Adresli: Evet

Özet

Two new pincer type N-heterocyclic carbene ligands were synthesized. The compounds were characterized by FTIR, NMR (1H, 13C) GC-MS and elemental analyses. They were also both modelled by DFT calculations as the crystal structure of 1,3-bis(acetamide)imidazol-3-ium bromide was determined by XRD which is an orthorhombic system with space group P21212. The structural analyses in gas phase were realized by comparing the experimental NMR and IR spectra with those of the theoretical calculations. In vitro biological activities of the molecules were determined and found that one of them exhibits significant cytotoxic activity.