Sains Malaysiana 46(12)(2017): 2461–2467

http://dx.doi.org/10.17576/jsm-2017-4612-23

 

Sintesis, Pencirian Spektroskopi dan Sifat Fotomangkin Rutenium(II) Bis(bipiridil)-2-(1H-pirazol-3-il)piridil

(Synthesis, Spectroscopy and Photocatalytic Property of Ruthenium(II) Bis(bipyridyl)-2-(1H-pyrazol-3-yl)pyridyl)

 

WUN FUI MARK-LEE¹, KIM HANG NG², LORNA JEFFERY MINGGU², KHUZAIMAH ARIFIN² & MOHAMMAD BIN KASSIM^1,2*

 

¹Pusat Pengajian Sains Kimia dan Teknologi Makanan, Fakulti Sains dan Teknologi

Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan, Malaysia

 

²Institut Sel Fuel, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan

Malaysia

 

Received: 30 June 2016/Accepted: 2 August 2017

 

ABSTRAK

Kompleks Ru(II), [Ru(bpy)2(pypzH)](PF6)2 dengan bpy = 2,2’-bipiridil dan pypzH= 2-(1H-pirazol-3-il)piridin, telah berjaya disintesis dan dicirikan dengan teknik spektroskopi transformasi Fourier inframerah (FTIR), ultralembayung dan cahaya nampak (UV-Vis), resonans magnet nukleus (RMN), serta spektrometer jisim. Pengiraan dengan kaedah teori fungsi ketumpatan (DFT) dan DFT bersandar masa (TD) telah dijalankan untuk membangunkan struktur optimum dan elektronik kompleks Ru(II). Data yang diperoleh menunjukkan orbital molekul terisi dengan tenaga tertinggi (HOMO) disetempatkan pada logam Ru(II) dan ligan pypzH, manakala orbital molekul tidak terisi dengan tenaga terendah (LUMO) didapati tersebar secara menyeluruh pada kedua-dua struktur ligan bpy. Aktiviti fotomangkin kompleks telah diuji terhadap penguruaian pewarna tekstil bromotimol biru (BTB) disebabkan aktiviti foto [Ru(bpy)2(pypzH)](PF6)2 di bawah sinaran lampu xenon 450W (AM 1.5, penapis inframerah). Kadar dan tertib tindak balas foto-uraian BTB dikenal pasti dan dibincangkan bersama dengan mekanisma foto-uraian BTB.

 

Kata kunci: Bromotimol biru; DFT; fotomangkin; piridin-pirazol; rutenium bis-bipiridil

 

ABSTRACT

Complexes [Ru(bpy)2(pypzH)](PF6)2 where bpy = 2,2’-bipyridyl and pypzH= 2-(1H-pyrazol-3-yl)piridine was synthesised and characterised with spectroscopic techniques including Fourier transform infrared (FTIR), UV-visible (UV-Vis) and nuclear magnetic resonance (NMR) and mass spectrometry. Density functional theory (DFT) and time-dependent (TD) DFT calculations were carried out to study the structural and electronic features of the Ru(II) complex. The calculations showed the highest-occupied molecular orbital (HOMO) is mainly localised at the Ru(II) centre and pypzH ligand, while the lowest-unoccupied molecular orbital (LUMO) is dominantly spread across both bpy ligands. The photocatalytic activity was tested with a textile dye derivative, bromothymol blue (BTB) that showed the degradation of the dye by the photocatalytic action of [Ru(bpy)2(pypzH)](PF6)2 under light irradiation with a xenon lamp (AM 1.5, infrared filter). The rate and order of BTB photodegradation reaction were established and the mechanism of the photodegradation of BTB was discussed.

 

Keywords: Bromothymol blue; DFT; photocatalyst; piridine-pyrazole; ruthenium bis-bipyridyl

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*Corresponding author; email: mb_kassim@ukm.edu.my