Melola Discovery

← Melola Discovery

Jurnal SINTA 1

A Computational Study on the Effects of Molecular Structures of Di-n-butyldithiophosphate and of its Derivatives on the Stability of Their Complex Compounds with Rare-Earth Elements

VALENSI · Vol. ume No. 2 (2019) · hlm. 211–217

DOI
10.15408/jkv.v5i2.10652
ISSN
2548-3013, 2460-6065
Terbit
2019-11-30
Penerbit
Department of Chemistry, Faculty of Science and Technology Syarif Hidayatullah Jakarta State Islamic University
Bahasa
eng

Abstrak

The stability of complex compounds formed from the ligand di-n-butyldithiophosphate (DBDTP) and its derivatives, with ions of rare-earth elements (REEs), such as gadolinium ion (Gd3+), is an important factor in the separation and purification processes of the elements using solvent extraction method. The complex stability is dependent, one of which, on the partial charge of the donor atom (S atom in this case) in the molecule of DBDTP or its derivatives. The more negative the partial charge of the donor atom, the more stable is the complex compound formed. The purpose of this study is to explore the effect of electron donating, and of electron withdrawing groups, as well as the effect of the structure of the butyl group in the molecules of DBDTP and or its derivatives on the partial charge of the donor atom. The method used was the semi empirical quantum mechanical calculations, i.e. the Austin Model 1 (AM1). The results of the study showed that the electron withdrawing group of -CN had resulted in the most positive charge on the donor atom, if it is on the second carbon atom of the butyl group in the DBDTP and or its derivatives. Conversely, in the same carbon atom position, the donating electron group of -CH=CH2 had generated the most negative partial charge on the donor atom. Furthermore, the results of this study also revealed that the sec-butyl isomer produced the most negative partial charge on the donor atom, among other isomers.

Kata kunci

Jaringan kolaborasi para penulis

40 penulis · 110 tautan kepenulisan bersama · 15 lintas organisasi · menampilkan 40 yang paling banyak terhubung

Arahkan kursor atau ketuk sebuah nama untuk menyorot rekan penulisnya. Klik dua kali untuk membuka halaman penulis.

  • Padjadjaran University
  • Universitas Indraprasta PGRI
  • Indonesian National Institute of Aeronautics and Space
  • National Research and Innovation Agency
  • University of Sarjanawiyata Tamansiswa
  • Tun Hussein Onn University of Malaysia
  • Organisasi berbeda
  • Organisasi sama
  • Afiliasi tidak diketahui
  • Garis lebih tebal = lebih banyak artikel bersama · lingkaran lebih besar = lebih banyak artikel
Tampilkan sebagai tabel
Rekan penulisOrganisasiArtikel bersama
Dianne Amor KusumaPadjadjaran University6
Santhy WyantutiPadjadjaran University5
Uji PratomoPadjadjaran University5
Kankan ParmikantiPadjadjaran University4
Putri MonikaPadjadjaran University4
Yeni Wahyuni HartatiPadjadjaran University3
Aulia Rahman Al MadaniPadjadjaran University2
Bambang SuhandiIndonesian National Institute of Aeronautics and Space2
Devi MunandarNational Research and Innovation Agency2
Christophorus SoetiknoPadjadjaran University2
Syulastri EffendiPadjadjaran University2
Abdul MutalibPadjadjaran University2
Ratna Sari DewiPadjadjaran University2
Abdul MutholibPadjadjaran University2
Hesein H. BahtiPadjadjaran University2
Muhammad YusufPadjadjaran University2
Regaputra Satria JanitraPadjadjaran University2
Muhammad Ryan FauziPadjadjaran University2
Mutik AlawiyahPadjadjaran University1
Salsabila Eka PutriPadjadjaran University1
Syifani AkmaliahPadjadjaran University1
Riza Andrian IbrahimPadjadjaran University1
Sri Adi WidodoUniversity of Sarjanawiyata Tamansiswa1
Estiyan DwipriyokoTun Hussein Onn University of Malaysia1
Shabira A. AuliyazhafiraPadjadjaran University1
Fariza Alamanda PutriPadjadjaran University1
Theresia S. NauliPadjadjaran University1
I Gede Nyoman Mindra JayaPadjadjaran University1
Annisa Nur FalahPadjadjaran University1
Sandrina NajwaPadjadjaran University1
Ega SahertiPadjadjaran University1
Salwa Azzah ImtiyazPadjadjaran University1
Gumgum DarmawanPadjadjaran University1

Afiliasi berasal dari OpenAlex; metadata OAI-PMH jurnal tidak memuatnya. Penulis tanpa ID OpenAlex dicocokkan berdasarkan nama, sehingga dua orang bisa tergabung atau satu orang bisa terpisah.

Sumber metadata: OAI-PMH (metadata jurnal) http://journal.uinjkt.ac.id/index.php/valensi/oai, pertama di-harvest 10 Nov 2026, terakhir terlihat 10 Nov 2026.
Metadata asli (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<dc:title xml:lang="en">A Computational Study on the Effects of Molecular Structures of Di-n-butyldithiophosphate and of its Derivatives on the Stability of Their Complex Compounds with Rare-Earth Elements</dc:title>
	<dc:creator xml:lang="en">Nurdeni, Nurdeni</dc:creator>
	<dc:creator xml:lang="en">Abdullah, Atje Setiawan</dc:creator>
	<dc:creator xml:lang="en">Ruchjana, Budi Nurani</dc:creator>
	<dc:creator xml:lang="en">A, Hardianto</dc:creator>
	<dc:creator xml:lang="en">A, Anggraeni</dc:creator>
	<dc:creator xml:lang="en">A, Muthalib</dc:creator>
	<dc:creator xml:lang="en">Bahti, Husein H</dc:creator>
	<dc:subject xml:lang="en">Di-n-butyldithiophosphate derivatives</dc:subject>
	<dc:subject xml:lang="en">complex stability</dc:subject>
	<dc:subject xml:lang="en">partial charge</dc:subject>
	<dc:subject xml:lang="en">donor atom</dc:subject>
	<dc:subject xml:lang="en">Austin Model 1</dc:subject>
	<dc:description xml:lang="en">The stability of complex compounds  formed from the ligand di-n-butyldithiophosphate (DBDTP) and its derivatives, with ions of rare-earth elements (REEs), such as gadolinium ion (Gd3+), is an important factor in the separation and purification processes of the elements using solvent extraction method. The complex stability is dependent, one of which, on the partial charge of the donor atom (S atom in this case) in the molecule of DBDTP or its derivatives. The more negative the partial charge of the donor atom, the more stable is the complex compound formed. The purpose of this study is to explore the effect of electron donating, and of electron withdrawing groups, as well as the effect of the structure of the butyl group in the molecules of  DBDTP and or its derivatives on the partial charge of the donor atom. The method used was the semi empirical quantum mechanical calculations, i.e. the Austin Model 1 (AM1). The results of the study showed that the electron withdrawing group of -CN had resulted in the most positive charge on the donor atom, if it is on the second carbon atom of the butyl group in the DBDTP and or its derivatives. Conversely, in the same carbon atom position, the donating electron group of -CH=CH2 had generated the most negative partial charge on the donor atom. Furthermore, the results of this study also revealed that the sec-butyl isomer produced the most negative partial charge on the donor atom, among other isomers.</dc:description>
	<dc:publisher xml:lang="en">Department of Chemistry, Faculty of Science and Technology Syarif Hidayatullah Jakarta State Islamic University</dc:publisher>
	<dc:date>2019-11-30</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://journal.uinjkt.ac.id/index.php/valensi/article/view/10652</dc:identifier>
	<dc:identifier>10.15408/jkv.v5i2.10652</dc:identifier>
	<dc:source xml:lang="en">Jurnal Kimia Valensi; Jurnal Kimia VALENSI Volume 5, No. 2, November 2019; 211-217</dc:source>
	<dc:source>2548-3013</dc:source>
	<dc:source>2460-6065</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://journal.uinjkt.ac.id/index.php/valensi/article/view/10652/pdf</dc:relation>
	<dc:rights xml:lang="en">Copyright (c) 2019 Nurdeni Nurdeni, Hudein H Bahti</dc:rights>
</oai_dc:dc>