Blue and Red Frequency Shift Effects Related with XA–H...B-Y Complex Formation

• Autorzy: Rutkowski K. S. , Karpfen A. , Melikova S. M. , Rodziewicz P.
• Języki publikacji: EN

Abstrakty

EN

Results of FTIR spectroscopic measurements in cryosolutions and ab initio calculations performed for a set of complexes stabilized by conventional and “im proper” H-bonds have been presented and analyzed. The main attention is paid to the blue and red frequency shift effects on the stretching vibrations which were ob served/or predicted for complexes of a weak to medium strength, formed between so called CH acids and various electron donor counter parts. It has been shown that the features of the dipole moment function and the type of intramolecular coupling between the vicinal bonds of the inter acting counter parts predefine in the most extent the sign of the frequency shift of respective stretching vibrations.

Słowa kluczowe

EN

hydrogen bond; CHźźźB interactions; blue and red shifts; liquid phase

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2009
• Tom: Vol. 83, nr 5
• Strony: 965--980
• Opis fizyczny: Bibliogr. 40 poz., rys.

Twórcy

autor

Rutkowski K. S.

autor

Karpfen A.

autor

Melikova S. M.

autor

Rodziewicz P.

• Department of Physics, St. Petersburg University, Uljanovskaja 1, 198504 St. Petersburg, Russian Federation,

Bibliografia

• 1.            Pimentel G.C. and McClellan A.L., Ann. Rev. Phys. Chem., 22, 347 (1971).
• 2.            Scheiner S, Hydrogen Bonding, Oxford University Press, NY 1997, p. 359.
• 3.            Iogansen A.V., in: N.D. Sokolov (Ed.), Hydrogen Bond, Moscow, 1981, p. 112.
• 4.            Tchulanowsky V.M. and Khaikin S.Ya, Opt. Spectrosc, (Rus) 23, 709 (1967).
• 5.            Sandorfy C, The Hydrogen Bond - Recent Developments in Theory and Experiments (Eds. P. Schuster et al.), North-Holland Publ. Co, Amsterdam, 1976, p. 615.
• 6.            Terenfjev V.A, Thermodynamics of Hydrogen Bonding (Rus), Saratov University Press, Kujbyshev, 1973.
• 7.            Gu Y, Kar T. and Scheiner S., J. Mol. Struct., 532, 17 (2000).
• 8.            Hartmann M. and Radom L, J. Phys. Chem., A104, 968 (2000).
• 9. Salvador P, Simon S, Duran M. and Dannenberg J.J, J. Chem. Phys., 113, 5666 (2000).
• 10.          Tokchadze K.G. and Tkhorzevskaya N. A, J. Mol. Lig., 32, 11 (1986).
• 11.          Antonenko G.V, Kolomiytsova T.D., Kondaurov V.A. and Shchepkin D.N., J. Mot Struct, 275, 183 (1992).
• 12.          Jemmis E.D, Subramanian G, Nówek A, Gora R.W, Sullivan R.H. and Leszczyński J., J. Mol. Struct, 556,315(2000).
• 13.          Novoa J.J. and Mota R, Chem. Phys. Lett, 318, 345 (2000).
• 14.          Lee M., Jang H. and Ault B.S., J. Phys. Chem., 94, 4851 (1990).
• 15.          Golubev N.S., Kolomiitsova T.D., Melikova S.M. and Shchepkin D.N, 18* Conference on Spectros¬copy, Technical Digest, Gorki, Russia, 1977, p. 78.
• 16.          Budesinsky M, Fiedler P. and Arnold Z., Synthesis, 858 (1989).
• 17.          Boldeskul I.E., Tsymbal I.F, Ryltsev E.V., LatajkaZ. and Barnes A.J.,J. Mol. Struct, 436,167 (1997).
• 18.          van der Veken B.J., Herrebout W.A., Szostak R., Shchepkin D.N, Havlas Z. and Hobza P., J. Am. Chem. Soc, 123, 12290 (2001).
• 19.          Melikova S.M., Rutkowski K.S, Rodziewicz P. and Koll A., Chem. Phys. Lett., 352, 301 (2002).
• 20.          Delanoye S.N, Herrebout W.A. and van der Veken B.J., J. Am. Chem. Soc, 124, 11854 (2002).
• 21.          Rutkowski K.S., Rodziewicz P., Melikova S.M,. Herrebout W.A, van der Veken B.J. and Koll A, Chem. Phys., 313, 225 (2005).
• 22.          Melikova S.M., Rutkowski K.S., Rodziewicz P. and Koll A, J. Mol. Struct, 705, 49 (2004).
• 23.          Herrebout W.A, Melikova S.M., Delanoye S, Rutkowski K.S., Shchepkin D.N. and van der Veken B.J., J. Phys. Chem., A109, 3038 (2005).
• 24.          Rutkowski K.S., Karpfen A., Melikova S.M., Herrebout W.A., Koll A., Wolschann P. and van der Veken B.J, PCCP (accepted: DOI: 10.1039/B815554B).
• 25.          Hobza P. and Havlas Z., Chem. Phys. Lett., 303, 447 (1999).
• 26.          Cubero E, Orozco M. and Lique F.J., Chem. Phys. Lett., 310, 445 (1999).
• 27.          Kryachko E.S. and Zeegers-Huyskens T, J. Phys. Chem., 105, 7118 (2001).
• 28.          Hobza P. and Havlas Z., Chem. Rev., 100,4253 (2000).
• 29.          Rutkowski K.S, Rodziewicz P, Melikova S.M. and Koll A, Chem. Phys., 327, 193 (2006).
• 30.          Rodziewicz P, Rutkowski K.S., Melikova S.M. and Koll A, ChemPhysChem., 6,1282 (2005).
• 31.          Hermansson K., J. Phys. Chem., A106, 4695 (2002).
• 32.          Karpfen A. and Kryachko E.S., J. Phys. Chem., A107, 9724 (2003).
• 33.          Karpfen A. and Kryachko E.S, Chem. Phys., 310, 77 (2005).
• 34.          Kryachko E.S. and Karpfen A, Chem. Phys., 329, 313 (2006).
• 35.          Frisch M.J, Trucks G.W., Schlegel H.B, Scuseria GE, Robb MA, Cheeseman J.R., Montgo¬mery 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., Peterson 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.V, 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., Komarami I., Martin R.L., Fox D.J., Keith T, Al-Laham M.A., Peng C.Y, Nanayakkara A., Challacombe M., Gill P.M.W, John¬son B, Chen W., Wong M.W., Gonzalez C. and Pople J.A.,. Gaussian 03, Revision C.02; Gaussian, Inc., Wallingford CT, 2004.
• 36.          Simon S, Duran M. and Dannenberg J.J., J. Chem. Phys., 105, 11024 (1996).
• 37.          Buckingham A.D., Trans. Faraday Soc, 56, 753 (1960).
• 38.          Buckingham A.D., Proc. Roy Soc, A248, 169 (1958).
• 39.          Bukowski R., Cencek W, Jankowski P., Jeziorski B., Jeziorska M., Kucharski S.A., Misquitta A.J., Moszyński R, Patkowski K, Rybak S, Szalewicz K, Williams H.L. and Wormer P.E.S., University of Dalaware and University of Warsaw. SAPT2002, An Ab Initio Program for Many-Body Symme¬try-adapted Perturbation Theory Calculations of Intermolecular Interaction Energies.
• 40.          Jeziorski B, Moszyński R. and Szalewicz K, Chem. Rev., 94, 1887 (1994).