Theoretical study on the atmospheric formation of sulfur trioxide as the primary agent for acid rain

Structural Chemistry

Volumn 22, Issue 4, 2011, Pages 817-822

  Vahedpour, Morteza ^a   Goodarzi, Moein ^a   Hajari, Nasim ^a   Nazari, Fariba ^b  

^a UNIVERSITY OF ZANJAN   (Iran)

^b INSTITUTE FOR ADVANCED STUDIES IN BASIC SCIENCES IASBS   (Iran)

Author keywords

Ab initio study; Mechanism; Ozone; Sulfur dioxide; Sulfur trioxide

Indexed keywords

EID: 80051593332     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9758-3     Document Type: Article

References (39)

1. J Farquhar H Bao M Thiemens 2000 Science 289 756 10.1126/science.289. 5480.756 1:CAS:528:DC%2BD3cXlslyjs7g%3D (Pubitemid 30650191)
2. KS Habicht M Gade B Thamdrup P Berg DE Canfield 2002 Science 298 2372 10.1126/science.1078265 1:CAS:528:DC%2BD38Xps1Sjurk%3D (Pubitemid 36014206)
3. MY Ballester PJSB Caridade AJC Varandas 2007 Chem Phys Lett 439 301 10.1016/j.cplett.2007.03.112 1:CAS:528:DC%2BD2sXkslWrs7k%3D (Pubitemid 46635413)
4. S Jou M Shen C Yu Y Lee 1996 J Chem Phys 104 15 10.1063/1.471335
5. Wayne RP (1991) The chemistry of the atmosphere, 2nd edn. Clarendon, Oxford
6. JC Calvert A Lazarus GL Kok BG Heikes JG Walega J Lind CA Cantrell 1985 Nature 317 27 10.1038/317027a0 1:CAS:528:DyaL2MXlt1yiu7g%3D
7. KR Leopold KH Bowen W Klemperer 1981 J Chem Phys 74 4211 10.1063/1.441557 1:CAS:528:DyaL3MXitVSisr8%3D
8. R Bent WR Ladner 1963 Spectrochim Acta 19 931 10.1016/0371-1951(63)80180- 0 1:CAS:528:DyaF3sXktF2hs7k%3D
9. AJ Dorney AR Hoy IM Mills 1973 J Mol Spectrosc 45 253 10.1016/0022-2852(73)90156-2 1:CAS:528:DyaE3sXhtVertrY%3D
10. SY Tang CW Brown 1975 J Raman Spectrosc 3 387 10.1002/jrs.1250030409 1:CAS:528:DyaE2MXlvVGkt7c%3D
11. A Kaldor AG Maki AJ Dorney IM Mills 1973 J Mol Spectrosc 45 247 10.1016/0022-2852(73)90155-0 1:CAS:528:DyaE3sXhtVequ7w%3D
12. NJ Brassington HGM Edwards DW Farwell DA Long HR Mansour 1978 J Raman Spectrosc 7 154 10.1002/jrs.1250070309 1:CAS:528:DyaE1cXkvFOgur0%3D
13. NF Henfrey BA Thrush 1983 Chem Phys Lett 102 135 10.1016/0009-2614(83) 87379-5 1:CAS:528:DyaL2cXhsVKqtw%3D%3D
14. VE Bondybey JH English 1985 J Mol Spectrosc 109 221 10.1016/0022-2852(85) 90308-X 1:CAS:528:DyaL2MXhtValtbs%3D
15. March J (1985) Advanced organic chemistry, 3rd edn. Wiley, New York
16. R Atkinson WPL Cater 1984 Chem Rev 84 437 10.1021/cr00063a002 1:CAS:528:DyaL2cXlvFGgsLg%3D
17. R Atkinson 1990 Atoms Environ 24A 1 1:CAS:528:DyaK3cXktFWhu7w%3D
18. R Atkinson SM Aschmann 1993 Environ Sci Technol 27 1357 10.1021/es00044a010 1:CAS:528:DyaK3sXktFCgtr0%3D
19. Baird C (1998) Environmental chemistry. Freeman, New York
20. M Goodarzi M Vahedpour F Nazari 2010 Struct Chem 21 915 10.1007/s11224-010-9626-6 1:CAS:528:DC%2BC3cXhtFOitr7J
21. ZF Xu MC Lin 2007 Chem Phys Lett 440 12 10.1016/j.cplett.2007.04.005 1:CAS:528:DC%2BD2sXltF2qs7s%3D (Pubitemid 46693721)
22. J Peiró-García I Nebot-Gil 2004 Chem Phys Lett 391 195 10.1016/j.cplett.2004.05.004
23. G De Petris A Cartoni M Rosi A Troiani 2005 Chem Phys Lett 410 377 10.1016/j.cplett.2005.05.095
24. AJC Varandas L Zhang 2004 Chem Phys Lett 385 409 10.1016/j.cplett.2003. 12.110 1:CAS:528:DC%2BD2cXhtVKls7g%3D
25. M Goodarzi F Piri N Hajari L Karimi 2010 Chem Phys Lett 499 51 10.1016/j.cplett.2010.09.041 1:CAS:528:DC%2BC3cXht1KgtbnI
26. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima 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, Strain MC, Farkas O, 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, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2003) Gaussian 03 (Revision B 03). Gaussian, Inc, Pittsburgh, PA
27. M Goodarzi M Vahedpour F Nazari 2010 Chem Phys Lett 494 315 10.1016/j.cplett.2010.06.001 1:CAS:528:DC%2BC3cXos1Cjtbo%3D
28. M Goodarzi M Vahedpour F Nazari 2010 Chem Phys Lett 497 1 10.1016/j.cplett.2010.07.084 1:CAS:528:DC%2BC3cXhtFWgur%2FJ
29. AD Becke 1993 J Chem Phys 98 1372 10.1063/1.464304 1:CAS:528: DyaK3sXhtlagt7o%3D
30. C Lee W Yang RG Parr 1988 Phys Rev B 37 785 10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
31. LA Curtiss K Raghavachari PC Redfern V Rassolov JAJ Pople 1998 Chem Phys 109 7764 1:CAS:528:DyaK1cXmvVeruro%3D
32. AG Boboul LA Curtiss PC Redfern KJ Raghavachari 1999 Chem Phys 110 7650
33. C Gonzalez HB Schlegel 1989 J Chem Phys 90 2154 10.1063/1.456010 1:CAS:528:DyaL1MXhsVahtbk%3D
34. C Gonzalez HB Schlegel 1990 J Phys Chem 94 5523 10.1021/j100377a021 1:CAS:528:DyaK3cXktl2rt78%3D
35. K Schofield 2001 Combust Flame 124 137 10.1016/S0010-2180(00)00189-9 1:CAS:528:DC%2BD3MXnslSjsQ%3D%3D
36. A Hills R Cicerone J Calvert J Birks 1987 J Phys Chem 91 1199 10.1021/j100289a033 1:CAS:528:DyaL2sXptV2kug%3D%3D
37. H Eyring 1935 J Chem Phys 3 1079
38. MG Evans M Polanyi 1935 Trans Faraday Soc 31 875 10.1039/tf9353100875 1:CAS:528:DyaA2MXltVSmsw%3D%3D
39. Miyoshi A (2010) Gaussian post processor (GPOP). University of Tokyo, Tokyo