Biomass-derived ionic liquids _CO2.pptxi

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1. Biomass-derived ionic liquids (ILs) can be used to convert carbon dioxide (CO2) into cyclic carbonates Under the guidance of Dr . M. DEEPAN KUMAR Assistant Professor, Department of Chemistry, K. Ramakrishnan College of Technology, Trichy – 12 Presented by P. Kameeswaran I-YEAR- MECH (B.E,.) K. Ramakrishnan College of Technology, Trichy – 12

2. 2 Introduction Need for minimizing the emission of CO 2 “School Strike for the Climate.” (August 2018) “Our house is on fire.” (January 2019) "The Greta effect?” (July 2019) Greta Thunberg | 16-year old Swedish School environmental activist “We are less than 12 years away from not being able to undo our mistakes .” “Global warming is not a prediction . It is happening .” James Hansen | Director, The Program on Climate Science, Columbia University

3. A special report by IPCC - “ IPCC 2018: Global Warming of 1.5°C ” IPCC, 2018: Global Warming of 1.5°C. Masson- Delmotte , V., P. Zhai , H.-O. Pörtner , D. Roberts, J. Skea , P.R. Shukla, A. Pirani, W. Moufouma-Okia , C. Péan , R. Pidcock , S. Connors, J.B.R. Matthews, Y. Chen, X. Zhou, M.I. Gomis , E. Lonnoy , T. Maycock , M. Tignor , and T. Waterfield (eds.). In Press. 3 Introduction Need for minimizing the emission of CO 2 Increase in Mean temperature of earth in most land regions. Hot extremes in most inhabited regions. Probability of drought in some regions. Increase in Ocean temperature as well as ocean acidity.

4. A report by NRDC – “Other effects of Global Warming” NRDC: Other Effects of Global Warming, https://www.nrdc.org/stories/global-warming-101#effects 4 Introduction Need for minimizing the emission of CO 2 Multi-metre rise in sea level and water shortages . Species loss and extinction . Forests, farms, and cities will face troublesome new pests. Outbreak of allergies, asthma, and infectious disease.

5. NASA: Factors contributing for Global Warming NASA: The Causes of Climate Change, https://climate.nasa.gov/causes/ 5 Introduction Need for minimizing the emission of CO 2

6. CO 2 is a well known green house gas (GHG) and its continuous emission into atmosphere has caused increasing environmental concerns. 1 Before industrialisation , the concentration of CO 2 was about 270 ppm in earth’s atmosphere, but now with the excessive use of fossil fuel as primary energy source the concentration increases about 400 ppm . 2 Zhang, Zhiguo , et al. "Efficient synthesis of cyclic carbonates from atmospheric CO2 using a positive charge delocalized ionic liquid catalyst." ACS Sustainable Chemistry & Engineering 5.4 (2017): 2841-2846. Data and image retrieved from: https://www.esrl.noaa.gov/gmd/ccgg/trends/ 6 Introduction

7. In this regard, the efficient transformation of CO 2 under mild condition into useful chemical compound is very much attractive. 1 CO 2 is recognized to be an abundant, cheap, recyclable, and nontoxic carbon source. An important CO 2 fraction is the coupling reaction of epoxides with CO 2 to afford 5-membered cyclic carbonates . 2 Hashiguchi, Shohei , et al. "Asymmetric transfer hydrogenation of aromatic ketones catalyzed by chiral ruthenium (II) complexes." Journal of the American Chemical Society 117.28 (1995): 7562-7563. Honores , Jessica, et al. "Synthesis of Cyclic Carbonates from CO 2 and Epoxide Catalyzed by Co, Ni and Cu Complexes in Ionic Liquids." Catalysis Letters 149.7 (2019): 1825-1832 7 Introduction Conversion of CO 2 to Cyclic Carbonates : Polar aprotic solvent Electrolytic element for Li batteries Valuable fine chemical intermediates in the production of pharmaceuticals and agricultural chemicals.

8. Ionic liquids (ILs) with low melting point (e.g. below 100°C) are considered as “green solvents” because of their special properties such as Moderate to poor conductor of electricity Non- ionizing Highly viscous Exhibit low vapour pressure High thermal and chemical stability Excellent solvents for both organic and inorganic substances Easy-separation. Hu , Jiayin , Huizhen Liu, and Buxing Han. "Basic ionic liquids promoted chemical transformation of CO 2 to organic carbonates." Science China Chemistry 61.12 (2018): 1486-1493 8 Introduction Ionic liquid: A Green Solvent :

9. Ionic liquids (ILs) with low melting point (e.g. below 100°C) are considered as “green solvents” because of their special properties such as Moderate to poor conductor of electricity Non- ionizing Highly viscous Exhibit low vapour pressure High thermal and chemical stability Excellent solvents for both organic and inorganic substances Easy-separation. Hu , Jiayin , Huizhen Liu, and Buxing Han. "Basic ionic liquids promoted chemical transformation of CO 2 to organic carbonates." Science China Chemistry 61.12 (2018): 1486-1493 9 Introduction Ionic liquid: A Green Solvent :

10. 10 Objectives To study the electronic structure and the reaction mechanism of cyclic carbonate synthesis from carbon dioxide (CO 2 ) with IL : Study of energetic , structure and bonding aspects of various ionic liquids through the computation of electronic structure and spectroscopic parameters. Tracing the electronic origin of the experimentally observed high catalytic efficiency of a particular IL compared to other investigated systems. Understanding the reaction mechanism of the organic transformation using ionic liquids as a catalyst . Locating the transition states and intermediates involved in the reaction mechanism and their energetic to gain understanding into the actual mechanism by which the conversion of CO 2 to cyclic carbonates occur at the molecular level. Determining the rate-limiting step for the overall reaction.