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All Journal VALENSI Jurnal Natur Indonesia Jurnal Matematika & Sains Jurnal Fisika Unand Jurnal Riset Kimia Majalah Kulit, Karet, dan Plastik Journal of Aceh Physics Society ODONTO Dental Journal Jurnal Litbang Industri CHEMPUBLISH JOURNAL ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry Indonesian Journal of Pure and Applied Chemistry Jurnal Ilmu Fisika Jurnal Riset Teknologi Pencegahan Pencemaran Industri Warta Pengabdian Andalas: Jurnal Ilmiah Pengembangan Dan Penerapan Ipteks Hydrogen: Jurnal Kependidikan Kimia REACTOR : Journal of Research On Chemistry And Engineering Jurnal Litbang Industri Andalas Dental Journal SAINTI: Majalah Ilmiah Teknologi Industri Aceh International Journal of Science and Technology Jurnal Katalisator Odonto dental journal Jurnal Penelitian Kehutanan Wallacea Journal of The Indonesian Society of Integrated Chemistry Jurnal Kimia Unand
Emriadi -
Chemistry Department Faculty Of Mathematics And Natural Sciences Universitas Andalas
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Dentistry Earth & Planetary Sciences Education Electrical & Electronics Engineering Energy Engineering Environmental Science Health Professions Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Social Sciences Other

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Journal : VALENSI

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Theoretical Study of Xanthone Derivative Corrosion Inhibitors Using Density Functional Theory (DFT) Fitria Ramadhani; Emriadi Emriadi; Syukri Syukri
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 6, No. 1, May 2020
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v6i1.11953

Abstract

The potential corrosion inhibitor properties of xanthone compounds and its derivatives (gartanin, 8-desoxygartanin, α-mangostine, and β-mangostine) can be demonstrated through Density Functional Density Theory (DFT) at the theoretical level B3LYP/6-31G(d, p). Quantum chemical parameters such as the energy of the highest molecular orbital occupied by electrons (EHOMO), the energy of the lowest molecular orbitals not occupied by electrons (ELUMO), energy gap (Egap / ΔE), dipole moment (µ), and total energy (Etot) can be calculated using DFT method. The DFT data analysis equation can determine the value; potential energy (I), electron affinity (A), absolute electronegativity (χ), global hardness (η), global softness (σ), number of transfer electrons (ΔN), electrophilicity (ω), and corrosion inhibition efficiency (IE%) . The results of quantum chemical parameter calculations show the potential inhibitory properties of gartanin > α-mangostine > β-mangostine > 8-desoxygartanin > xanthone, with the calculated corrosion inhibition efficiency value of gartanin of 86.54%.
Co-Authors A, Hermansyah AA Sudharmawan, AA Ade Saputra Ade saputra Adlis Santoni Admin Alif Admin Alif Admin Alif Admin Alif Afdhal Muttaqin Afrizal Afrizal Ahmad Darmawi Alfi Asben Alif, Admin Amelia Amir Annisa Wulandari Anwar Kasim Arianti, Yuliana Athiyya Husna Aulia Arivin Billah Aura, Selfi Monica Azimatur Rahmi Bambang Ristiono Bustanul Arifin BUSTANUL ARIFIN Delfi Silvia Della Rosalynna S. Deswati Deswati DIAN LESTARI Eli Susanti Eni Rahmi Fajarandi, Nabiel Fauzia, Syiffa Fitria Ramadhani G Gunawarman, G Gita Rachmad Wibowo Gusniardi, Vira Anggita Hemansyah Aziz Hermansyah A Hermansyah Aziz Hilda Sartika I Imelda Ibnu Irawan Ida Ayu Putu Sri Widnyani Imelda Imelda Indah Wulandari Islami, Dini Muthi'ah Kazuhiro Manseki Khalishah, Salwa Kodir, Ade Ismail Abdul Kosno Supriyanto Lidia Gusfi Marni Mai Efdi Mai Efdi Maria Erna Maria Erna Maria Erna Kustyawati Marliani, Indah Tika Marniati Salim Maryam, Maryam Matlal Fajri Alif Mohd Jain Noordin Murdiman, Imelda Murniwati Murniwati Nabiel Fajarandi Netri Elisma Novelina Novesar Jamarun Novesar Jamarun Novesar Jamarun Nurul Trinanda Rizal Olly Norita Tetra Pradiwi, Nailatul Zahrah Putri Arwanda Putri Ramadhani Putri Ramadhani, Putri Putri Yolanda Putri, Sanaq Elfira Rahma Joni Rahmayeni Rahmiana Zein Redha Fauzana Refinel - Rini Ramadhani S Syukri Safni Safni Sanaq Elfira Putri Sari Wahyuni Sartika, Hilda Savira Nurul Hayuni Silvia, Delfi Solly Aryza Sri Handani Sri Mutiar Sri Mutiar Sri Wildani Suryati Suryati Suryati Suryati Suryati Susanti, Eli Syiffa Fauzia Syukri Arief Syukri Arief Syukri Syukri Syukri Syukri Takashi Sugiura Vira Anggita Gusniardi Wellia, Diana Vanda Wibowo, Gita Rachmad Wildani, Sri Wulandari Wulandari Yeni Stiadi Yetria Rilda Yola Azli Perdana Yuli Yetri Yuli Yetri Yuliana Arianti Yulizar Yusuf Yulizar Yusuf Zilfa Zilfa Zulhadjri Zulhadjri