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Towards insight into properties and stabilities of complexes of ozone with CO2, CS2 and SCO species

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Abstract

The MP2 method in combination with the aug-cc-pVXZ (X = D and T) basis set has been carried out to examine the complexes between O3 and isostructure species of CO2, CS2 and SCO. Two, two and four minima have been located on the potential energy surfaces of O3–CO2, O3–CS2 and O3–SCO complexes, respectively. The results reveal that the stabilization of complexes should be in the order O3–CS2 > O3–SCO > O3–CO2.

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References

  1. Alkorta I, Grabowski SJ (2012) Comput Theor Chem 998:1

    Article  CAS  Google Scholar 

  2. Scheiner S (2009) J Phys Chem B 113:10421

    Article  CAS  Google Scholar 

  3. Baulch DL, Cox RA, Crutzen PJ, Hampson RF, Kerr JA, Troe J, Watson RT (1982) J Phys Chem Ref Data 11:327

    Article  CAS  Google Scholar 

  4. Kirchhoff V (1988) J Geophys Res 93:1469

    Article  CAS  Google Scholar 

  5. Wayne RP (1991) Chemistry of atmospheres, 2nd edn. Oxford Science Publications, Oxford

    Google Scholar 

  6. NASA Goddard homepage for tropospheric ozone NASA Goddard space flight center code 613.3, Chemistry and dynamics branch. Acdb-ext.gsfc.nasa.gov (2006). Accessed on 2012

  7. Farquhar J, Bao H, Thiemens M (2000) Science 289:756

    Article  CAS  Google Scholar 

  8. Habicht KS, Gade M, Thamdrup B, Berg P, Canfield DE (2002) Science 298:2372

    Article  CAS  Google Scholar 

  9. Mark C, Davis DD (1993) Global sources and sinks of OCS and CS2 and their distribution. Global Biogeochem Cycles 7(2):321–337

    Article  Google Scholar 

  10. Thornton DC, Bandy AR, Blomquist BW (1996) Impact of anthopogenic and biogenic sources and sinks on carbonyl sulphide in the North Pacific troposphere. J Geophys Res 101(1):1873–1881

    Article  CAS  Google Scholar 

  11. Halmer MM, Schmincke HU, Graf HF (2002) J Volcanol Geotherm Res 115:511

    Article  CAS  Google Scholar 

  12. Seinfeld J (2006) Atmospheric chemistry and physics. Wiley, London. ISBN 978-1-60119-595-1

    Google Scholar 

  13. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Millam JM, Burant JC, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Ehara M, Hada M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nak-ajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Farkas O, Strain MC, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Nanayakkara A, Peng CY, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2003) Gaussian 03(Revision B 03). Gaussian Inc., Pittsburgh

    Google Scholar 

  14. David EW, Dunning Thom H Jr (1993) J Chem Phys 98:1358

    Article  Google Scholar 

  15. Xie D, Guo H, Peterson KA (2000) J Chem Phys 112:8378

    Article  CAS  Google Scholar 

  16. Makiabadi B, Roohi H (2008) Chem Phys Lett 460:72

    Article  CAS  Google Scholar 

  17. Roohi H, Ashuri M (2009) Chem Phys Lett 476:168

    Article  CAS  Google Scholar 

  18. Boys SF, Bernardi F (1970) Mol Phys 19:553

    Article  CAS  Google Scholar 

  19. Bulat F, Toro-Labbé A, Brinck T, Murray J, Politzer P (2010) J Mol Model 16:1679

    Article  CAS  Google Scholar 

  20. Bader RFW (1990) In: Halpen J, Green MLH (eds) The inter-national series of monographs of chemistry. Clarendon Press, Oxford

    Google Scholar 

  21. Biegler-Konig F, Schonbohm J (2002) AIM2000 ProgramPackage, Ver. 2.0. University of Applied Sciences, Bielefeld

  22. Curtiss L, Pochatko DG, Reed AE, Weinhold F (1985) J Chem Phys 82:2679

    Article  CAS  Google Scholar 

  23. Reed AE, Weinhold F (1985) J Chem Phys 83:1736

    Article  CAS  Google Scholar 

  24. Foster JP, Weinhold F (1980) J Am Chem Soc 102:7211

    Article  CAS  Google Scholar 

  25. Bader RFW, Carroll MT, Cheeseman JR, Chang C (1987) J Am Chem Soc 109:7968

    Article  CAS  Google Scholar 

  26. Venayagamoorthy M, Ford TA (2003) J Mol Struct 651:223

    Article  Google Scholar 

  27. Ziołkowski M, Grabowski SJ, Leszczynski J (2006) J Phys Chem A 110:6514

    Article  Google Scholar 

  28. Mata I, Alkorta I, Espinosa E, Molins E, Elguero J (2007) In: Matta CF, Boyd RJ (eds) The quantum theory of atoms in molecules. Wiley-VCH, Weinheim

    Chapter  Google Scholar 

  29. Picazo O, Alkorta I, Elguero J (2003) J Org Chem 68:7485

    Article  CAS  Google Scholar 

Download references

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Authors and Affiliations

  1. Department of Chemistry, Faculty of Science, University of Kurdistan, Sanandaj, Iran

    Abdolvahab Seif

  2. Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan, Iran

    Moein Goodarzi

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  1. Abdolvahab Seif
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  2. Moein Goodarzi
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Correspondence to Abdolvahab Seif.

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Seif, A., Goodarzi, M. Towards insight into properties and stabilities of complexes of ozone with CO2, CS2 and SCO species. Struct Chem 25, 941–947 (2014). https://doi.org/10.1007/s11224-013-0365-3

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