Calculations of Site-Specific CO Stretching Frequencies for Copper Carbonyls with the “Near Spectroscopic Accuracy”: CO Interaction with Cu+/MFI

American Chemical Society (ACS) - Tập 107 Số 48 - Trang 10381-10388 - 2003
Ota Bludský1, Martin Šilhan1, Dana Nachtigallová1, Petr Nachtigall1
1J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic and Center for Complex Molecular Systems and Biomolecules, Dolejškova 3, 182 23 Prague 8, Czech Republic

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Lupinetti A. J., 2001, Progress in Inorganic Chemistry, 49, 1, 10.1002/9780470166512.ch1

Zhou M. F., 2001, Chem. Rev., 101, 1931, 10.1021/cr990102b

Lamberti C., 1997, J. Phys. Chem. B, 101, 344, 10.1021/jp9601577

Kumashiro P., 1999, J. Phys. Chem. B, 103, 89, 10.1021/jp981935t

Palomino G. T., 2000, J. Phys. Chem. B, 104, 8641, 10.1021/jp000584r

Bordiga S., 2001, Catal. Today, 70, 91, 10.1016/S0920-5861(01)00410-2

Lamberti C., 2000, Angew. Chem., Int. Ed., 39, 2138, 10.1002/1521-3773(20000616)39:12<2138::AID-ANIE2138>3.0.CO;2-9

Bolis V., 2000, J. Chem. Phys., 113, 9248, 10.1063/1.1319318

Kuroda Y., 1997, J. Phys. Chem. B, 101, 6497, 10.1021/jp9710796

Kuroda Y., 2001, Phys. Chem. Chem. Phys., 3, 1383, 10.1039/b009942m

Chen H. Y., 1997, Inorg. Chem., 36, 1417, 10.1021/ic960122l

Szanyi J., 1997, Catal. Lett., 43, 37, 10.1023/A:1018970001848

Milushev A., 2001, Phys. Chem. Chem. Phys., 3, 5337, 10.1039/b105722g

Hadjiivanov K., 2000, J. Catal., 191, 480, 10.1006/jcat.1999.2805

Hadjiivanov K. I., 1996, J. Chem. Soc., Faraday Trans., 92, 4595, 10.1039/FT9969204595

Bulanek R., 2001, Appl. Catal., B, 31, 13, 10.1016/S0926-3373(00)00268-X

Goldman A. S., 1996, J. Am. Chem. Soc., 118, 12159, 10.1021/ja960876z

Bridgeman A., 2001, J. Inorg. Chim. Acta, 321, 27, 10.1016/S0020-1693(01)00506-0

Iwamoto M., 1986, J. Chem. Soc., Chem. Commun., 1272, 10.1039/c39860001272

Iwamoto M., 1996, Inorg. Chem., 35, 6918, 10.1021/ic960429k

Ramprasad R., 1997, J. Phys. Chem. B, 101, 1940, 10.1021/jp961472w

Treesukol P., 2001, J. Phys. Chem. B, 105, 2421, 10.1021/jp004280g

Davidova M., 2003, J. Phys. Chem. B, 107, 2327, 10.1021/jp026989o

Brand H. V., 1997, J. Phys. Chem. B, 101, 7691, 10.1021/jp963327o

Broclawik E., 2000, Top. Catal., 11, 335, 10.1023/A:1027235511555

Bludsky O., 2002, J. Chem. Phys., 117, 9298, 10.1063/1.1515316

Pople J. A., 1981, Int. J. Quantum Chem. Symposia, 15, 269

Scott A. P., 1996, J. Phys. Chem., 100, 16502, 10.1021/jp960976r

Hout R. F., 1982, J. Comput. Chem., 3, 234, 10.1002/jcc.540030216

Cizek J., 1969, Adv. Chem. Phys., 14, 35

Purvis G. D., 1982, J. Chem. Phys., 76, 1910, 10.1063/1.443164

Becke A. D., 1988, Phys. Rev. A, 38, 3098, 10.1103/PhysRevA.38.3098

Becke A. D., 1993, J. Chem. Phys., 98, 1372, 10.1063/1.464304

Lee, C.; Yang, W.; Parr, R. G.Phys. Rev. B:  Condens. Matter1988,37, 785.

Devlin F. J., 1995, J. Phys. Chem., 99, 16883, 10.1021/j100046a014

Dolg M., 1987, J. Chem. Phys., 86, 866, 10.1063/1.452288

Antes I., 1996, Inorg. Chem., 35, 2089, 10.1021/ic950910v

Frisch M. J., 1984, J. Chem. Phys., 80, 3265, 10.1063/1.447079

Dunning T. H., 1989, J. Chem. Phys., 90, 1007, 10.1063/1.456153

Woon D. E., 1993, J. Chem. Phys., 98, 1358, 10.1063/1.464303

Schafer A., 1992, J. Chem. Phys., 97, 2571, 10.1063/1.463096

Rodriguez-Santiago L., 1998, J. Am. Chem. Soc., 120, 1545, 10.1021/ja973196k

Sierka M., 2000, J. Chem. Phys., 112, 6983, 10.1063/1.481296

Treutler O., 1995, J. Chem. Phys., 102, 346, 10.1063/1.469408

Feyereisen M., 1993, Chem. Phys. Lett., 208, 359, 10.1016/0009-2614(93)87156-W

Eichkorn K., 1997, Theor. Chem. Acc., 97, 119, 10.1007/s002140050244

Eichkorn K., 1995, Chem. Phys. Lett., 242, 652, 10.1016/0009-2614(95)00838-U

Eichkorn K., 1995, Chem. Phys. Lett., 240, 283, 10.1016/0009-2614(95)00621-A

Sierka M., 1997, Faraday Discuss., 41, 10.1039/a701492i

Nachtigallova D., 1999, Phys. Chem. Chem. Phys., 1, 2019, 10.1039/a900214f

Gale J. D., 1997, J. Chem. Soc., Faraday Trans., 93, 629, 10.1039/a606455h

Lindh R., 1991, J. Chem. Phys., 95, 5889, 10.1063/1.461610

Deegan M. J. O., 1994, J. Chem. Phys. Lett., 227, 321, 10.1016/0009-2614(94)00815-9

Koningsveld H., 1987, Acta Crystallogr., 7, 564

Silhan M., 2003, Chem. Phys. Lett., 375, 54, 10.1016/S0009-2614(03)00807-8

Nachtigall P., 2000, J. Phys. Chem. B, 104, 1738, 10.1021/jp992600u

Shao L. M., 2001, Organometallics, 20, 1137, 10.1021/om000911h

Lamberti C., 1997, J. Phys. IV, 7, 905

Datka J., 2002, Stud. Surf. Sci. Catal., 142, 445, 10.1016/S0167-2991(02)80060-X

Zecchina A., 1999, J. Phys. Chem. B, 103, 3833, 10.1021/jp9842289