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THEORETICAL STUDY OF THE [Fe(en)2(NCS)2] COMPLEX WITH REPARAMETERIZED DENSITY FUNCTIONALS Yusthinus T. Male; Djulia Onggo; Muhamad A. Martoprawiro; Ismunandar Ismunandar
Indonesian Journal of Chemistry Vol 9, No 3 (2009)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (475.336 KB) | DOI: 10.22146/ijc.21511

Abstract

Quantum chemical studies have been carried out on the Fe(en)2(NCS)2 (en = ethylenediamine) complex both in low and high spin states (S = 0 and S = 2) using hybrid exchange-correlation functional (B3LYP) and non-hybrid method (BLYP). Calculations were performed in vacuum and in methanol to study the effect of cis-trans geometry on the structure and energy difference between low-spin (LS) and high-spin (HS) states of iron (II) complexes. Full geometry optimizations of the complexes show that hybrid method consistently gives higher energy difference between LS and HS states than the nonhybrid methods. Calculations with reparameterized density functional theory that showed more reasonable electronic energy splittings in previous research was also carried out. In addition, the computational study of Fe(en)2(NCS)2 in vacuum and methanol with PCM method showed that the complexes tend to adopt cis geometry. This geometry showed much less charge transfer in the substitutions of NCS- ligands compare to trans geometry.
ANALISIS KADAR LOGAM TIMBAL (Pb) PADA SEDIMEN DI PERAIRAN PELABUHAN HITU Abraham Mariwy; Anjarnita Haupea; Yeanchon H Dulanlebit; Yusthinus T Male
Molluca Journal of Chemistry Education (MJoCE) Vol 12 No 2 (2022): MJoCE
Publisher : Program Studi Pendidikan Kimia FKIP Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/MJoCEvol12iss2pp84-95

Abstract

Pelabuhan Hitu merupakan salah satu pelabuhan strategis di Kabupaten Maluku Tengah yang berada di Kecamatan Leihitu Pulau Ambon, pelabuhan ini merupakan sarana transportasi laut, sehingga banyak aktivitas yang dilakukan di sekitar pelabuhan hitu. Aktivitas masyarakat tersebut dapat menimbulkan peningkatan logam berat seperti Pb. Penelitian ini dilakukan di perairan pelabuhan Hitu, dengan tujuan untuk mengetahui kandungan logam berat timbal (Pb) pada sedimen. Ukuran butir sedimen diukur dengan menggunakan Sieve Shaker dan sampel dianalisis menggunakan Atomic Absorption Spectrophotometer (AAS). Hasil penelitian menunjukan bahwa ukuran butir partikel sedimen adalah gravel berkisar antara 0,14-8,18%, pasir 48,68-90,03% dan lumpur 4,59-39,27%. Kadar timbal (Pb) pada sedimen di semua Stasiun pengamatan telah melewati standar baku mutu yang ditetapkan oleh Keputusan Menteri Negara Lingkungan Hidup Nomor 51 Tahun 2004 tentang Baku Mutu Air Laut yaitu 0,05 mg/l dengan kadar logam Pb pada stasiun I 9,9175 mg/kg, pada stasiun II 16,44 mg/kg, stasiun III 11,9575 mg/kg, stasiun IV 8,425 mg/kg dan pada stasiun V 9,1075 mg/kg
Analisis Kadar Logam Kadmium (Cd) dan Timbal (Pb) pada Sedimen Di Teluk Ambon Bagian Dalam Male, Yusthinus T; Malle, Dominggus; Bijang, Catherina Manukpadang; Fransina, Eirene Grace; Seumahu, Cecelia Anna; Dolaitery, Lois Mikhal; Landu, Sartika; Gaspersz, Nelson
Indonesian Journal of Chemical Research Vol 5 No 1 (2017): Edisi Bulan Juli (Edition For July)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2017.5-yus

Abstract

The research about analysis of cadmium (Cd) and lead (Pb) metal content on sediment inner part of Ambon Bay has been done. Sampling point located at Dermaga Ferry Poka, PLTD Poka, Kate-kate, Waiheru, Lateri III, Passo dan PLTD Galala. The results of analyzed of sediment particle size inside the Ambon Bay showed 3 components were sand, gravel, and sludge, but the sediments was dominated by sludge sand. Analysis of Cd content showed that at 7 stations in Ambon Bay detected Cd metal with the highest concentration at 4th station of Waiheru village was 0,6640 mg/Kg and the lowest concentration at 3th station of Kate-kate village was 0,0980 mg/Kg. Meanwhile, the highest Pb content was 20,075 mg/kg at 4th station and the lowest was 5,755 mg/kg at 2nd station of PLN Poka. The content of elements composition of sediment are SiO2, K2O, P2O5, Fe2, BaO, NiO and Ga2O3 but Cd and Pb metal was not detected.
Analysis of Mercury (Hg) Distribution In The Waeapo River Irrigation Area, Buru Regency, Maluku Province, Gold Mining Without Permission Result In Botak Mountain Area Salatutin, Febrian M.; Batawi, Chudeya Y.; Lessil, Camellia Y.; Male, Yusthinus T
Indonesian Journal of Chemical Research Vol 3 No 1 (2015): Edisi Bulan Juli (Edition For July)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2015.3-feb

Abstract

The Waeapo River has 13 watersheds, which are irrigated area for thousand hectare of rice field in the District of Buru. Buru District is one of the area that can supply thousands of tons of rice. But, yields to be reduced by the presence of gold mining activities in the Botak Mountain. Gold mining activities not only impact for the decline in yields, but also impact on the quality of rice by mercury pollution generated by mining waste. This research aims to determine the accumulation of mercury in sediment of Waeapo river. The research method is used survey and analysis method. In this research, observations were done and field sampling with the laboratory analyze. The result showed that concentration of analyzed mercury at four point, one point has exceeded standard of mercury limits in the sediment, i.e 0.1 ppm
Computational Study Natural Color Essence (Dyes) As Active Material On Organic Solar Cell With Density Functional Theory (DFT) Male, Yusthinus T; Sutapa, I Wayan; Ranglalin, Olivia M.
Indonesian Journal of Chemical Research Vol 2 No 2 (2015): Edisi Bulan Januari (Edition For January)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2015.2-yus

Abstract

Computational calculation has been done for anthocyanin, tocoferol and they derivatives. The computational calculation was conduct to know the compound potential of anthocyanin, tocoferol and they derivatives as active material on organic solar cell. Computational calculation was done by used Gaussian 03 for windows with ab inito alternative electron structure theory namely Density Functional Theory (DFT) with B3LYP method at basis set 6-31G (d). Computational calculation obtains that the structure of anthocyanin, tocoferol and they derivatives were symmetrical. There were two compounds of anthocyanin (A1 and A5) and two compounds of tocoferol (T3 and T4) which more stable than the others compounds. The compounds had lowest energy gap were consist of A1= 0.12629 eV, A5= 0.12570 eV, T3= 0.19334 eV and T4= 0.19231 eV. The moment dipole from compound of anthocyanin, tocoferol and they derivatives had highest value, they were A1 and T1 while the total energy had lowest value they A2 and T1. The Substituent methoxy and hydroxy were added the density load of C atom was substituted so it would increase the activity of the phenyl ring on anthocyanin and they derivatives, while substituent methyl and hydroxy were added the density load of C atom was substituted so it was increase the activity of the phenyl ring on tocoferol and they derivatives. For compounds of anthocyanin main orbital populations showed that there were load transfer only from middle chain (ether) and compounds of tocoferol main orbital populations showed that there was load transfer only from phenyl ring. The method of density functional B3LYP/6-31G(d) would be applied to structure prediction and electronic characteristic of anthocyanin, tocoferol compounds and they derivatives before synthetic.
Introduction Analysis Of Several Levels Of The Mercury (Hg) In Shells Male, Yusthinus T; Nanlohy, Alberth Ch.; Asriningsih, Asriningsih
Indonesian Journal of Chemical Research Vol 2 No 1 (2014): Edisi Bulan Juli (Edition For July)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2014.2-yus

Abstract

Water pollution by metallic mercury (Hg) in Buru island as a result of mining activity people are very dangerous for marine life, firstly for Mollusca that was consumed by local communities. Therefore, it is needed to measure the levels of pollution Hg of shells. The research has been done on several types of shells, taken at several different points, those are: at the Namlea market, Arumbae market, and Latuhalat beach. The research’s method used Cold Vapour Atomic Absorption Spectrophotometry (CV-AAS). The results obtained by the concentration of metals Hg in Polla shells (Telebraria sulcata) 0.19240 mg/kg; Manis shells (Ruditapes variegatus) 0.27171 mg/kg; Ciput shells (Nerita polita) 0.31387 mg/kg; Keong shells (Thais aculeata) 0.05556 mg/kg; Tudung shells (Cellana radiata) 0.05922 mg/kg and Bapaco shells (Telescopium telescopium) 0.00183 mg/kg. Based on the results of this research, the mercury (Hg) concentrations of several types of shells which contain levels of Hg that low enough and has not exceeded the threshold set by WHO as big as 0.5 mg/kg. Even that there was small concentrations of metals, it can be acumulated in human’s body and can be fatal to the health of humans who consume shells.
Analisys Of Lead (Pb) And Chromium (Cr) Content In The Roots Of Seagrass (Enhalus Acoroides) In Waters Of Waai And Tulehu Village Central Maluku Regency Male, Yusthinus T; Sunarti, Sunarti; Nunumete, Neti
Indonesian Journal of Chemical Research Vol 1 No 2 (2014): Edisi Bulan Januari (Edition For January)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2014.1-yus

Abstract

The research has been done with the aim to determine the content of heavy metals Pb and Cr on the roots of seagrasses (Enhalus acoroides) by using Spektrofotometry Atomic Absorption (SSA). Samples have been taken from the waters of Waai and Tulehu village. The result show that the content of Pb on the roots of seagrasses in the waters of Waai village and Tulehu village is 26,262 mg/Kg; 18,491mg/Kg; 16,272 mg/Kg dan 12,272 mg/Kg. While the content of Cr on the roots of seagrasses in the waters of Waai village ang Tulehu village 33,066 mg/Kg; 7,752 mg/Kg; 109,535 mg/Kg; 22,464 mg/Kg. The result of this study can be used as a reference for the claim that the roots of seagrasses in the Waters of Waai village and Tulehu village contain metals Pb and Cr quite high.
Synthesis of Binuclear Complex Compound of {[Fe(L)(NCS)¬2]2oks} (L = 1,10-phenantrolin and 2,2’-bypiridine) Male, Yusthinus T; Tehubijuluw, Helna; Pelata, Paulina M.
Indonesian Journal of Chemical Research Vol 1 No 1 (2013): Edisi Pertama (First Edition)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2013.1-yus

Abstract

The paramagnetic complex {[Fe(fen)(NCS)2]2oks} have been synthesized in methanol solution using 1-10 phenantrolin, 2,2 '-bipyridine, NCS- ligands and oxalate as bridging ligand. Synthesis of Fe (II) with ligands phenantrolin produced three complexes is paramagnetic compounds each with a value of magnetic moment (μ) of 5.98 BM, 7.34 BM and 6.00 BM, respectively. For complexes with bipyridine ligand complexes obtained two diamagnetic compounds with the magnetic moment (μ) was 3.57 BM and 3.50 BM, respectively. It could concluded that the field strength of bipyridine ligand cannot be reduced by NCS- ligand. Analysis results showing that the synthesized compound is a binuclear complex with {[Fe(fen)(NCS)2]2oks} molecular formula. This conclusion was supported by the measurement of conductivity, magnetic moment, IR spectroscopy and XRD analysis.
Analisis Kadar Merkuri (Hg) Pada Rambut Penduduk Desa Kayeli, Akibat Penambangan Emas Tanpa Ijin di Areal Gunung Botak , Kab. Buru-Provinsi Maluku Rumatoras, Hadijah; Taipabu, Muhammad I.; Lesiela, Lewi; Male, Yusthinus T
Indonesian Journal of Chemical Research Vol 3 No 2 (2016): Edisi Bulan Januari (Edition For January)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2016.3-had

Abstract

In November 2011, the gold mining activities in Botak Mountain, Buru island more increase and it has used mercury as a main ingredient in the extraction process. The use of mercury in the gold mining on Botak Mountain is done freely by the miners (people), allowing mercury waste wasted together distributed to the environment. With the distribution of gold mining in the area of waste water, then allow mercury can accumulate in human through the food chain. This research aims to determine accumulation of mercury at hair of Kayeli Villagers. The research method is used survey and analyze. In this research, were used observation, field sampling and laboratory analyze. The result showed that concentration of mercury analyzed at villagers’s hair is 0.10-3.25 ppm. Based on the result, concentration of mercury analyzed at villagers’s hair has exceeded standard of mercury limits, i.e 0.05 ppm.
Isolasi Mikroba Dari Air Asam Tambang Pada Area Pertambangan Tembaga Di Pulau Wetar, Provinsi Maluku Male, Yusthinus T.; Modok, Deddy W.S.; Seumahu, Cecilia A.; Malle, Dominggus
Indonesian Journal of Chemical Research Vol 6 No 2 (2019): Edisi Bulan Januari (Edition For January)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2019.6-thi

Abstract

This research was conducted to find bacteria from the genus Acidithiobacillus ferrooxidans which isolated from mine acid water in the copper mining area on Wetar Island, Maluku Province. This bacterium will be utilized in the biohidrometallurgical process (bioleaching) for copper extraction in mining area. The results of this study indicate that bacteria can be isolated from mine acid water samples by enrichment method that was use liquid media from Leathen which is optimized using Trypton Soya Broth (TSB) and bacterial growth on solid media. The presence of Thiobacillussp bacteria was confirmed by the results of gene analysis using a 16S rRNA sequence showing the presence of mixed bacterial colonies but not a single colony.
Co-Authors Abraham Mariwy Amos, Matthew Adi Honey Anakotta, Jaicson G. Anjarnita Haupea Asriningsih, Asriningsih Baharudin, Muh. Daswar A. Banjar, Firman Batawi, Chudeya Y. Bijang, Catherina M. Bijang, Catherina Manukpadang Bijang, Chaterina Manukpadang Claudia F Talaud Djulia Onggo Djulia Onggo Dolaitery, Lois Mikhal DOMINGGUS MALLE El, Rahma Fahrul Rozy Fakaubun Fransina, Eirene G. Gaspersz, Nelson Hanoch J Sohilait Hattu, Nikmans Hellna Tehubijuluw Herland Satriawan I Wayan Sutapa IRSAN . Irsan Irsan Ismail, Irwan Ismunandar Ismunandar Ismunandar Ivonne Telussa Joris, Shielda Natalia Jusuph J Wattimury Kabau, Widyawati Kapelle, Imanuel B. D. Koto, Saifuddin Landu, Sartika Lesiela, Lewi Lessil, Camellia Y. Letsoin, Lina I Leuwol, Dean Y.E. Lina I Letsoin Maahury, Mirella Fonda Mangesa, Rosita Matheis F.J.D.P anasale Matheis F.J.D.P. Tanasale Modok, Deddy W.S. Muhamad A. Martoprawiro Muhamad Abdulkadir Martoprawiro Muhamad Abdulkadir Martoprawiro Naharuik, Sintia Nanlohy, Alberth Ch. Natsir, Nur Alim Netty A Siahaya Nina B Garium Nunumete, Neti Pattiasina, Priska M. Pelata, Paulina M. Pieter J Kunu Pusung, Yulian A. D. Ranglalin, Olivia M. Rosmawaty Harahap Rumakat, Dewi H Rumatoras, Hadijah Salatutin, Febrian M. Sanawain, Lea Sekewael, Serly J. Sekewael, Serly Jolanda Selanno, Debby A J Selanno, Debby A.J. Semuel Simra Pada Seumahu, Cecelia Anna Seumahu, Cecilia A. Seumahu, Cecillia Anna Siahaya, Antho Netty Siahaya, Netty A Siti Nuraisah, Siti Sohilait, Mario R. Sohilait, Mario Rowan Sri, Dewi Sunarti Taipabu, Muhammad I. Tehubijuluw, Helna Tupan, Ch I Wattimury, Jusuf Yeanchon H Dulanlebit