Theoretical study on chemical fixation of carbon dioxide with aziridine into cyclic carbamate catalysed by purine/HI system

References

• J.X. Mao, J.A. Steckel, F. Yan, N. Dhumal, H. Kim and K. Damodaran, PCCP. 18, 1911 (2016). doi: 10.1039/C5CP05713B
   PubMed Web of Science ®Google Scholar
• G. García, M. Atilhan and S. Aparicio, Phys. Chem. Chem. Phys. 19, 5411 (2017). doi: 10.1039/C6CP08151G
   PubMed Web of Science ®Google Scholar
• G. Garcia, M. Atilhan and S. Aparicio, Phys. Chem. Chem. Phys. 17, 13559 (2015). doi: 10.1039/C5CP00076A
   PubMed Web of Science ®Google Scholar
• T. Abdudin Geremu and L. Teshome, Abute, Mol. Phy. 118 (2019).
   Google Scholar
• Q. Liu, L. Wu, R. Jackstell and M. Beller, Nat. Commun. 6, 5933 (2015). doi: 10.1038/ncomms6933
   PubMed Web of Science ®Google Scholar
• T. Sakakura and K. Kohno, Chem. Commun., 1312 (2009). doi: 10.1039/b819997c
   PubMed Web of Science ®Google Scholar
• C.V. Brand, E. Graham, J. Rodríguez, A. Galindo, G. Jackson and C.S. Adjiman, Faraday Discuss. 192, 337 (2016). doi: 10.1039/C6FD00041J
   PubMed Web of Science ®Google Scholar
• M.D. Leonard, E.E. Michaelides and D.N. Michaelides, Renew. Energy. 145, 951 (2020). doi: 10.1016/j.renene.2019.06.066
   Web of Science ®Google Scholar
• Y. Ma, J. Gao, Y. Wang, J. Hu and P. Cui, Int. J. Greenhouse Gas Control. 75, 134 (2018). doi: 10.1016/j.ijggc.2018.05.025
   Web of Science ®Google Scholar
• Q. Yi, W. Li, J. Feng and K. Xie, Chem. Soc. Rev. 44, 5409 (2015). doi: 10.1039/C4CS00453A
   PubMed Web of Science ®Google Scholar
• H. Liu and H. Yu, J. Mater. Sci. Technol. 35, 674 (2019). doi: 10.1016/j.jmst.2018.10.007
   Web of Science ®Google Scholar
• M.J. Salar-Garcia, V.M. Ortiz-Martinez, F.J. Hernandez-Fernandez, A.P. de Los Rios and J. Quesada-Medina, J. Hazard. Mater. 321, 484 (2017). doi: 10.1016/j.jhazmat.2016.09.040
   PubMed Web of Science ®Google Scholar
• B. Cao, J. Du, S. Liu, X. Zhu, X. Sun, H. Sun and H. Fu, RSC Adv. 6, 10462 (2016). doi: 10.1039/C5RA23959A
   Web of Science ®Google Scholar
• S. Pavlovica, A. Zicmanis, E. Gzibovska, M. Klavins and P. Mekss, Green Sustainable Chem. 01, 103 (2011). doi: 10.4236/gsc.2011.13017
   Google Scholar
• G. Cui, J. Wang and S. Zhang, Chem. Soc. Rev. 45, 4307 (2016). doi: 10.1039/C5CS00462D
   PubMed Web of Science ®Google Scholar
• D.P. Soman, S. Karthika, P. Kalaichelvi and T.K. Radhakrishnan, J. Mol. Liq. 291, 111349 (2019). doi: 10.1016/j.molliq.2019.111349
   Google Scholar
• D. Hancu, L.A. Blanchard, E.J. Beckman and J.F. Brennecke, Energy Environtal Sci. 399, 28 (2010).
   Google Scholar
• B. Seyedhosseini, M. Izadyar and M.R. Housaindokht, RSC Adv. 6, 85924 (2016). doi: 10.1039/C6RA15362C
   Web of Science ®Google Scholar
• Á Medina, J.M. González-Jartín and M.J. Sainz, Curr. Opin. Food Sci. 18, 76 (2017). doi: 10.1016/j.cofs.2017.11.009
   Web of Science ®Google Scholar
• R.S. Dhillon and G. von Wuehlisch, Biomass Bioenergy. 48, 75 (2013). doi: 10.1016/j.biombioe.2012.11.005
   Web of Science ®Google Scholar
• T. Fan, X. Chen and Z. Lin, Chem. Commun. 48, 10808 (2012). doi: 10.1039/c2cc34542k
   PubMed Web of Science ®Google Scholar
• J. Peng, Y. Geng, H.-J. Yang, W. He, Z. Wei, J. Yang and C.-Y. Guo, Mol. Catal. 432, 37 (2017). doi: 10.1016/j.mcat.2017.01.019
   Google Scholar
• R. Ma, L.-N. He, X.-F. Liu, X. Liu and M.-Y. Wang, J. CO₂ Utilization. 19, 28 (2017). doi: 10.1016/j.jcou.2017.03.002
   Web of Science ®Google Scholar
• S. Lim, Y.N. Lim and H.-Y. Jang, Bull. Korean Chem. Soc. 37, 608 (2016). doi: 10.1002/bkcs.10724
   Web of Science ®Google Scholar
• K.M.K. Yu, I. Curcic, J. Gabriel, H. Morganstewart and S.C. Tsang, J. Phys. Chem. A. 114, 3863 (2010).
   PubMedGoogle Scholar
• Z.-Z. Yang, Y.-N. Zhao, L.-N. He, J. Gao and Z.-S. Yin, Green Chem. 14, 519 (2012). doi: 10.1039/c2gc16039k
   Web of Science ®Google Scholar
• Y. Chen, R. Luo, Z. Yang, X. Zhou and H. Ji, Sustainable Energy Fuels. 2, 125 (2018). doi: 10.1039/C7SE00464H
   Web of Science ®Google Scholar
• V.P. Oktyabrskiy, St. Petersburg Polytechnical Univ. J.: Phys. Math. 2, 124 (2016). doi: 10.1016/j.spjpm.2016.05.008
   Google Scholar
• M.J. Ajitha and C.H. Suresh, Tetrahedron Lett. 52, 5403 (2011). doi: 10.1016/j.tetlet.2011.08.062
   Web of Science ®Google Scholar
• M. Alves, R. Mereau, B. Grignard, C. Detrembleur, C. Jerome and T. Tassaing, RSC Adv. 7, 18993 (2017). doi: 10.1039/C7RA00220C
   Web of Science ®Google Scholar
• X. Wang, N.G. Akhmedov, Y. Duan and B. Li, Energy Fuels. 29, 3780 (2015). doi: 10.1021/acs.energyfuels.5b00535
   Web of Science ®Google Scholar
• B. Ioan and L. Amelitta, Procedia - Social Behav. Sci. 180, 1122 (2015). doi: 10.1016/j.sbspro.2015.02.225
   Google Scholar
• C. Wang, X. Luo, X. Zhu, G. Cui, D.-e. Jiang, D. Deng, H. Li and S. Dai, RSC Adv. 3, 15518 (2013). doi: 10.1039/c3ra42366b
   Web of Science ®Google Scholar
• M.S. Raja Shahrom, C.D. Wilfred, D.R. MacFarlane, R. Vijayraghavan and F.K. Chong, J. Mol. Liq. 276, 644 (2019). doi: 10.1016/j.molliq.2018.12.044
   Web of Science ®Google Scholar
• M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski and D.J. Fox, Gaussian 09, Revision B.01 (Wallingford, CT, 2009).
   Google Scholar
• M. Mu, J. Cheng, C. Dai, N. Liu, Z. Lei, Y. Ding and J. Lu, Green Energy Environ. 4, 190 (2019). doi: 10.1016/j.gee.2019.01.004
   Google Scholar
• R.O. Jones, Comput. Nanosci. 31, 45 (2006).
   Google Scholar
• X. Zhu, M. Song and Y. Xu, ACS Sustainable Chem. Eng. 5, 8192 (2017). doi: 10.1021/acssuschemeng.7b01839
   Web of Science ®Google Scholar
• R. Sharma and R.K. Mahajan, RSC Adv. 4, 748 (2014). doi: 10.1039/C3RA42228C
   Web of Science ®Google Scholar
• Y. Huang, G. Cui, H. Wang, Z. Li and J. Wang, J. CO₂ Utilization. 28, 299 (2018). doi: 10.1016/j.jcou.2018.10.013
   Web of Science ®Google Scholar
• H.P. Hratchian and H.B. Schlegel, J. Chem. Phys. 120, 9918 (2004). doi: 10.1063/1.1724823
   PubMed Web of Science ®Google Scholar
• B.M.J. Tomasi and R. Cammi, Chem. Rev. 105, 2999 (2005). doi: 10.1021/cr9904009
   PubMed Web of Science ®Google Scholar
• R. Ratti, Adv. Chem. 2014, 1 (2014). doi: 10.1155/2014/729842
   Google Scholar
• R.G. Pearson, J. Chem. Educ. 45, 581 (1968). doi: 10.1021/ed045p581
   Web of Science ®Google Scholar
• W.Y. Robert and G. Parr, Density Functional Theory of Atoms and Molecules (Oxford University press, Oxford, 1989).
   Google Scholar
• L.R. Domingo, P. Perez and J.A. Saez, RSC Adv. 3, 1486 (2013). doi: 10.1039/C2RA22886F
   Web of Science ®Google Scholar
• J. Wang, Y. Tian, Y. Zhao and K. Zhuo, Green Chem. 5, 618 (2003). doi: 10.1039/b303735e
   Web of Science ®Google Scholar
• L. An-Hua, L. Yu-Nong and H. Liang-Nian, Pure Appl. Chem. 84, 581 (2011). doi: 10.1351/PAC-CON-11-05-04
   Web of Science ®Google Scholar
• X.-Y. Dou, L.-N. He and Z.-Z. Yang, Synth. Commun. 42, 62 (2012). doi: 10.1080/00397911.2010.521903
   Web of Science ®Google Scholar
• R. Ferraz, L.C. Branco, C. Prudencio, J.P. Noronha and Z. Petrovski, ChemMedChem. 6, 975 (2011). doi: 10.1002/cmdc.201100082
   PubMed Web of Science ®Google Scholar
• B.L. Gadilohar and G.S. Shankarling, J. Mol. Liq. 227, 234 (2017). doi: 10.1016/j.molliq.2016.11.136
   Web of Science ®Google Scholar
• M.S. Whitney, L. Hough, H. Rodriguez, R.P. Swatloski, S.K. Spear, D.T. Daly, J. Pernak, J.E. Grisel, R.D. Carliss, M.D. Soutullo, J.H. Davis, Jr. and R.D. Rogers, New J. Chem. 31, 1429 (2007). doi: 10.1039/b706677p
   Web of Science ®Google Scholar
• O.B. Darkwah Williams Kweku1, A. Maxwell, K.B.D. Koomson Ato Desmond, A.T.Q. Ewurabena Asante Oti-Mensah and a.B.B. Adormaa, JSRR. 17, 1 (2017).
   Google Scholar
• K.O.Y.a.P.T. Sekoai, www.Mdpi.com/Journal/Environments. 3, 1 (2016).
   Google Scholar