Collect. Czech. Chem. Commun. 2011, 76, 669-682
https://doi.org/10.1135/cccc2011028
Published online 2011-05-03 23:50:16

Vibrational dynamics of adsorbed CO2: Separability of the CO2 asymmetric stretching mode

Ota Bludskýa, Petr Nachtigallb and Vladimír Špirkoa,*

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i, Center for Biomolecules and Complex Molecular Systems, Flemingovo nám. 2, 166 10 Prague 6, Czech Republic
b Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030, 128 40 Prague 2, Czech Republic

References

1. Special Issue on the Capture of Carbon Dioxide From Industrial Sources, Ind. Eng. Chem. Res. 2006, 45, 2413.
2. Orr F. M.: Energy Environ. Sci. 2009, 2, 449. <https://doi.org/10.1039/b822107n>
3. Plant D. F., Maurin G., Deroche I., Llewellyn P. L.: Microporous Mesoporous Mater. 2007, 99, 70. <https://doi.org/10.1016/j.micromeso.2006.07.033>
4. Bonenfant D., Kharoune M., Niquette P., Mimeault M., Hausler R.: Sci. Technol. Adv. Mat. 2008, 9, 013007. <https://doi.org/10.1088/1468-6996/9/1/013007>
5. Montanari T., Busca G.: Vib. Spectrosc. 2008, 46, 45. <https://doi.org/10.1016/j.vibspec.2007.09.001>
6. Kumashiro R., Fujie K., Kondo A., Mori T., Nagao M., Kobayashi H., Kuroda Y.: Phys. Chem. Chem. Phys. 2009, 11, 5041. <https://doi.org/10.1039/b818323f>
7. Pulido A., Delgado M. R., Bludský O., Rubeš M., Nachtigall P., Areán C. O.: Energy Environ. Sci. 2009, 2, 1187. <https://doi.org/10.1039/b911253g>
8. Bulánek R., Frolich K., Frýdová E., Čičmanec P.: Top. Catal. 2010, 53, 1349. <https://doi.org/10.1007/s11244-010-9593-6>
9. Areán C. O., Delgado M. R., Bibiloni G. F., Bludský O., Nachtigall P.: ChemPhysChem 2011 <https://doi.org/10.1002/cphc.20/000995>
10. Zukal A., Pulido A., Gil B., Nachtigall P., Bludský O., Rubeš M., Čejka J.: Phys. Chem. Chem. Phys. 2010, 12, 6413. <https://doi.org/10.1039/c001950j>
11. Bludský O., Šilhan M., Nachtigall P.: J. Chem. Phys. 2002, 117, 9298. <https://doi.org/10.1063/1.1515316>
12. Bludský O., Šilhan M., Nachtigallová D., Nachtigall P.: J. Phys. Chem. A 2003, 107, 10381. <https://doi.org/10.1021/jp036504b>
13. Bludský O., Šilhan M., Nachtigall P., Bucko T., Benco L., Hafner J.: J. Phys. Chem. B 2005, 109, 9631. <https://doi.org/10.1021/jp0506538>
14. Nachtigallová D., Nachtigall P., Bludský O.: Phys. Chem. Chem. Phys. 2004, 6, 5580. <https://doi.org/10.1039/b414296a>
15. Nachtigall P., Frolich K., Drobná H., Bludský O., Nachtigallová D., Bulánek R.: J. Phys. Chem. C 2007, 111, 11353. <https://doi.org/10.1021/jp0716785>
16. Nachtigall P., Bludský O., Grajciar L., Nachtigallová D., Delgado M. R., Areán C. O.: Phys. Chem. Chem. Phys. 2009, 11, 791. <https://doi.org/10.1039/b812873a>
17. Wilson E. B., Jr., Decius J. C., Cross P. C.: Molecular Vibrations. McGraw-Hill, New York 1955.
18. Lauvergnat D., Nauts A.: J. Chem. Phys. 2002, 116, 8560. <https://doi.org/10.1063/1.1469019>
19. Papoušek D., Aliev M. R.: Molecular Vibrational-Rotational Spectra. Elsevier, Amsterdam- Oxford-New York 1982.
20. Bunker P. R., Jensen P. : Molecular Symmetry and Spectroscopy. NRC Research Press, Ottawa 1998.
21. Reimers J. R., Watts R. O.: Mol. Phys. 1984, 52, 357. <https://doi.org/10.1080/00268978400101271>
22. Reimers J. R.: J. Chem. Phys. 2001, 115, 9103. <https://doi.org/10.1063/1.1412875>
23. Plíva J.: Collect. Czech. Chem. Commun. 1958, 23, 777.
24. Plíva J.: Collect. Czech. Chem. Commun. 1958, 23, 1839.
25. Plíva J.: Collect. Czech. Chem. Commun. 1958, 23, 1846.
26. Špirko V., Jensen P., Bunker P. R., Čejchan A.: J. Mol. Spectrosc. 1985, 112, 183. <https://doi.org/10.1016/0022-2852(85)90203-6>
27. Špirko V., Čížek J.: J. Chem. Phys. 1995, 102, 8906. <https://doi.org/10.1063/1.468944>
28. Hougen J. T., Bunker P. R., Johns J. W. C.: J. Mol. Spectrosc. 1970, 34, 136. <https://doi.org/10.1016/0022-2852(70)90080-9>
29. Papoušek D., Stone J. M. R., Špirko V.: J. Mol. Spectrosc. 1973, 48, 17. <https://doi.org/10.1016/0022-2852(73)90132-X>
30. Kabeláč M., Hobza P., Špirko V.: Phys. Chem. Chem. Phys. 2009, 11, 3885. <https://doi.org/10.1039/b822764k>
31. Cihla Z., Chedin A.: J. Mol. Spectrosc. 1971, 40, 337. <https://doi.org/10.1016/0022-2852(71)90159-7>
32. Perdew J. P., Burke K., Ernzerhof M.: Phys. Rev. Lett. 1996, 77, 3865. <https://doi.org/10.1103/PhysRevLett.77.3865>
33. Dunning T. H.: J. Chem. Phys. 1989, 90, 1007. <https://doi.org/10.1063/1.456153>
34. Iron M. A., Oren M., Martin J. M. L.: Mol. Phys. 2003, 101, 1345. <https://doi.org/10.1080/0026897031000094498>
35. Amos R. D., Bernhardsson A., Berning A., Celani P., Cooper D. L., Deegan M. J. O., Dobbyn A. J., Eckert F., Hampel C., Hetzer G., Knowles P. J., Korona T., Lindh R., Lloyd A. W., McNicholas S. J., Manby F. R., Meyer W., Mura M. E., Nicklass A., Palmieri P., Pitzer R., Rauhut G., Schütz M., Schumann U., Stoll H., Stone A. J., Tarroni R., Thorsteinsson T., Werner H.-J.: MOLPRO, A Package of ab initio Programs designed by H.-J. Werner and P. J. Knowles, Version 2009.1. 2009.
36. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Montgomery J. A., Jr., Vreven T., Kudin K. N., Burant J. C., Millam J. M., Iyengar S. S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G. A., 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 J. E., Hratchian H. P., Cross J. B., Adamo C., Jaramillo J., Gomperts R., Stratmann R. E., Yazyev O., Austin A. J., Cammi R., Pomelli C., Ochterski J. W., Ayala P. Y., Morokuma K., Voth G. A., Salvador P., Dannenberg J. J., Zakrzewski V. G., Dapprich S., Daniels A. D., Strain M. C., Farkas O., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Ortiz J. V., Cui Q., Baboul A. G., Clifford S., Cioslowski J., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Gonzalez C., Pople J. A.: Gaussian 03. Gaussian Inc., Pittsburgh (PA) 2003.
37. Scribano Y., Lauvergnat D., Benoit D. M.: J. Chem. Phys. 2010, 133, 094103. <https://doi.org/10.1063/1.3476468>
38. Hansen M. B., Sparta M., Seidler P., Toffoli D., Christiansen O.: J. Chem. Theory Comput. 2010, 6, 235. <https://doi.org/10.1021/ct9004454>