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Journal : Indonesian Journal of Chemistry

Theoretical Study on the Extraction of Alkaline Earth Salts by 18-Crown-6: Roles of Counterions, Solvent Types and Extraction Temperatures Saprizal Hadisaputra; Lorenz R Canaval; Harno Dwi Pranowo; Ria Armunanto
Indonesian Journal of Chemistry Vol 14, No 2 (2014)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (576.723 KB) | DOI: 10.22146/ijc.21259

Abstract

The roles of counterions, solvent types and extraction temperatures on the selectivity of 18-crown-6 (L) toward alkaline earth salts MX2 (M = Ca, Sr, Ba; X = Cl-, NO3-) have been studied by density functional method at B3LYP level of theory in gas and solvent phase. In gas phase, the chloride anion Cl- is the preference counterion than nitrate anion NO3-. This result is confirmed by the interaction energies, the second order interaction energies, charge transfers, energy difference between HOMO-LUMO and electrostatic potential maps. The presence of solvent reversed the gas phase trend. It is found that NO3- is the preference counterion in solvent phase. The calculated free energies demonstrate that the solvent types strongly change the strength of the complex formation. The free energies are exothermic in polar solvent while for the non polar solvent the free energies are endothermic. As the temperature changes the free energies also vary where the higher the temperatures the lower the free energy values. The calculated free energies are correlated well with the experimental stability constants. This theoretical study would have a strong contribution in planning the experimental conditions in terms of the preference counterions, solvent types and optimum extraction temperatures.
Co-Authors A. Wahab Jufri Abdul Syukur Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Abhi Purwoko Agus Ramdani Agus Ramdani Agus Ramdani Ahmad Abdan Syukron Ahmad Fudholi Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aliefman Hakim Aminah Aminah Aris Doyan Arliani, Baiq Sopian Asman Ardiyansyah Astini, Baiq Nilawati Atmi Izzah Nursafitri Ayu Rizki Mujiyanti Baiq Dian Arianingsih Baiq Fara Dwirani Sofia Baiq Fara Dwirani Sofia Baiq Nila Sari Ningsih Baiq Sari Supriantini Bq. Dea Gustina Wandari Burhanuddin Burhanuddin Burhanuddin Burhanuddin Chomsa Asih Lestari Dadi Setiadi Dini Handayani Duha Hardiyanti Awalia Dwi Laksmiwati Dwi Laksmiwati Dwi Wahyudiati Dwiki Meila Rosa Eka Junaedi Eka Junaidi Eka Junaidi Eka Junaidi Eka Junaidi Eka Junaidi Eka Junaidi Elmi Royani Etty Nurul Wahidah Farah Dhiyah Alfini Sarnyoto G. Gunawan, G. Gunawan Gunawan Gunawan Gunawan Hamidsyukrie Hamidsyukrie Hamidsyukrie, Hamidsyukrie Harno Dwi Pranowo Hasna Hasna Hasnawati Hasnawati Helita Sefitri Dechayantari Hidayatussani Hidayatussani I Nyoman Loka I Nyoman Loka Ihwani, Baiq Alfifatul Ilham Syahrul Jiwandono Iliana, Hezi Septi Indah Febriani Ismi, Baiq Robi’atul Jamaluddin Jamaluddin Jamaluddin Jamaluddin Jannatin Ardhuha JANNATIN ARDHUHA, JANNATIN Jannatin ‘Ardhuha Jeckson Siahaan Jeckson Siahaan Jeckson Siahaan Jeckson Siahaan Jono Irawan Juni Kartini Lalu Adian Gifari Lalu Muhaimi Lalu Muhamad Ali Zakaria Lalu Muhamad Ali Zakaria Lalu Muliyadi Lalu Randa Hazri Ramdani Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas Lalu Rudyat Telly Savalas LALU RUDYAT TELLY SAVALAS Lalu Sumardi Lalu Zulkifli Lestari, Chomsa Asih Lorenz R Canaval Minasari Minasari Moh. Ridho Imam Alfarizi Muh. Makhrus Muhammad Dhani Ardha Muhammad Khaerul Anam Muhammad Shohibul Ihsan Muhammad Taufik Muhammad Yustiqvar Muhammad Zohri Muhammad Zuhdi Mukhtar Haris Mukhtar Haris Muntari Muntari Muntari Muntari Muti’ah Muti’ah Muti’ah Muti’ah Nabila Widiawati Ni Kadek Mai Sasmita Wardani Ni Nyoman Sri Putu Verawati Niken Rizky Johana Niko Prasetyo Nishfiya Ramdoniati Nita Wardani Nurul Fitri Prapti Sedijani PRAPTI SEDIJANI, PRAPTI Prasetyo, Niko Qurratul Aima Rabiatun Adawiah Rachmawati Rachmawati Radayatun Hasanah Rahmawati Rahmawati Rara Nabilla Arieno Ria Armunanto Rinjani, Nazla Putri Riska Dia Sapitri Risma Pramudia Ningtyas Rizky Jasahuldia Rostika Rostika Roy Setiadi Safrina Azaria Rahman Salmanto Salmanto Samsul Hadi Sanjangi Ailillah Saprini Hamdiani Sekar Wangi Siti Nurhaslinda Siti Nurul Yaqutu Burhani Siti Rabiatul Adawiyah Siti Soleha Sopia Novitasari Sunniarti Ariani Supriadi Supriadi Supriadi Supriadi Susilawati Syafruddin Syafruddin Syahrial Ayub Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al Idrus Syarifa Wahidah Al-Idrus ulyanur khairunnufus Wahidah, Etty Nurul Wahyu Ibnistnaini waridatun nisa Wildan Wildan Wildan Wildan Yayuk Andayani Yayuk Andayani Yayuk Andayani Yunita Arian Sani Anwar Yunita Arian Sani Anwar Yunita Arian Sani Anwar Yusni, Wahyudi Zulandri Zulandri Zulkarnain Zulkarnain