TEKNOLOGIA
Vol 1 No 1 (2018): Teknologia

STUDI AB INITIO KOMPLEKS BESI(III) DAN LIGAN N-BENZOIL-N-FENILTIOUREA

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Article Info

Publish Date
26 Oct 2018

Abstract

N-benzoyl-N’-phenylthiourea (C14H12N2OS) has been synthesized and have potential application due to their coordination behavior toward transitional metal and also their biological activity. Iron metal was considered as one of the candidates to form complex compounds with the ligand. This study aims to examine the stability of the Iron and N-benzoyl-N’-phenylthiourea complex compound. The calculation was run under Unrestricted-Hartree-Fock method with STO-3G basis set. The higher level basis set, such as 6-31G was used to determine the energy analysis and the properties of the complex. The calculation shows that a complex structure was formed by iron(III) and the ligan through bonds with S and O atoms. On the otherway, iron(III) complex with the ligand via N atoms was not formed. It might be explained by the presence of steric hindrance in the complex.

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Journal Info
TEKNOLOGIA
Website

Abbrev

teknologia

Publisher

Aliansi Perguruan Tinggi Badan Usaha Milik Negara

Subject

Automotive Engineering Civil Engineering, Building, Construction & Architecture Computer Science & IT Engineering Mathematics

Description

Jurnal Teknologia dengan ber-ISSN 2654-5683 merupakan bagian dari Aliansi Perguruan Tinggi Badan Usaha Milik Negara (APERTI BUMN), adalah jurnal keilmuan yang merupakan produk kolaborasi dari lima (5) Perguruan Tinggi yang tergabung dalam APERTI BUMN, yaitu Universitas Pertamina, Telkom University, ...