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Volumn 113, Issue 9, 2009, Pages 1760-1769

Hydrogen bonding to multifunctional molecules: Spectroscopic and ab initio investigation of water complexes of fluorophenylacetylenes

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO INVESTIGATIONS; DOUBLE-RESONANCE SPECTROSCOPIES; ELECTRON DENSITIES; ENERGY STRUCTURES; FLUORINE ATOMS; FLUORINE SUBSTITUTIONS; FLUOROBENZENE; HYDROGEN BOND DONORS; HYDROGEN BONDINGS; INTERMOLECULAR STRUCTURES; MULTI-FUNCTIONAL MOLECULES; PHENYLACETYLENE; TRIPLE BONDS; WATER COMPLEXES; WATER MOLECULES;

EID: 63849241011     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809121n     Document Type: Article
Times cited : (23)

References (44)
  • 1
    • 0006589268 scopus 로고    scopus 로고
    • Etter, M. C. Acc. Chem. Res. 1990, 23, 120. (b) Etter, M. C. J. Phys. Chem. 1991, 95, 4601.
    • Etter, M. C. Acc. Chem. Res. 1990, 23, 120. (b) Etter, M. C. J. Phys. Chem. 1991, 95, 4601.
  • 10
    • 63849204385 scopus 로고    scopus 로고
    • 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, Bakken, V, 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
    • 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.; Bakken, V.; 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, revision A. 1; Gaussian, Inc.: Wallingford, CT, 2004.
  • 17
    • 63849243514 scopus 로고    scopus 로고
    • We had recorded the FDIR spectrum of the transition marked bin the fluorescence excitation spectrum of 4FPHA in the acetylenic C-H stretching region. This spectrum was found to be identical to that of 2FPHA shown in Figure 5A. Hence the assignment.
    • We had recorded the FDIR spectrum of the transition marked "b"in the fluorescence excitation spectrum of 4FPHA in the acetylenic C-H stretching region. This spectrum was found to be identical to that of 2FPHA shown in Figure 5A. Hence the assignment.
  • 33
    • 0035807680 scopus 로고    scopus 로고
    • and references therein
    • Zwier, T. S. J. Phys. Chem. A 2001, 105, 8827, and references therein.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 8827
    • Zwier, T.S.1
  • 34
    • 63849150509 scopus 로고    scopus 로고
    • In the case of phenylacetylene, we had earlier used two-state deperturbation analysis that placed the unperturbed acetylenic C-H oscillator at 3334 cm-1 see refs 4 and 6, On the other hand, analysis of the same spectrum using a weighted average model places the unperturbed acetylenic C-H oscillator at 3333 cm-1. The accuracy of the centred approach is about ±1 cm-1, relative to the two-state deperturbation model, which is within our experimental accuracy
    • -1, relative to the two-state deperturbation model, which is within our experimental accuracy.


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