Structural, density functional computational studies and antibacterial screening on N,N′-bis-(4-hydroxy-α-methylsalicylidene)ethylenediamine nickel (II) complex

• Main Authors: Abdul Wahab, Falynee Faha, Shamsuddin, Mustaffa, Ku Bulat, Ku Halim, Ismail, Noraznawati
• Format: Article
• Published: Elsevier Ltd. 2018
• Subjects: TP Chemical technology
• Online Access: http://eprints.utm.my/id/eprint/85971/; http://dx.doi.org/10.1016/j.poly.2018.09.016
• Institution: Universiti Teknologi Malaysia

The molecular geometry, vibrational frequencies and gauge including atomic orbital (GIAO) 1H NMR chemical shift values of the title molecule, N,N′-bis-(4-hydroxy-α-methylsalicylidene)ethylenediamine nickel(II) complex, (C18H18N2NiO4) in the ground state have been calculated using density functional...