메뉴 건너뛰기




Volumn 113, Issue 23, 2009, Pages 6422-6429

Hydrogen-bonding interactions of (CF3)3CH and (CF3)3C in the gas phase. An experimental (FT-ICR) and computational study

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; FOURIER TRANSFORM ION CYCLOTRON RESONANCE; GASPHASE; HYDROGEN BONDING INTERACTIONS; STRUCTURAL FEATURE; TRIFLUOROMETHYL;

EID: 66649129016     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp811057m     Document Type: Article
Times cited : (3)

References (71)
  • 6
    • 0036535032 scopus 로고    scopus 로고
    • Marshall, A. G.; C, L; Hendrickson, C. L. Int J. Mass Spectrom. 2002, 215, 59.
    • (a) Marshall, A. G.; C, L; Hendrickson, C. L. Int J. Mass Spectrom. 2002, 215, 59.
  • 8
    • 0006353615 scopus 로고    scopus 로고
    • Energetics of Stable Molecules and Reactive Intermediates
    • Minas da Piedade, M. E, Ed, Kluwer: Dordrecht, The Netherlands, 535
    • (c) Abboud, J.-L. M.; Notario, R. In Energetics of Stable Molecules and Reactive Intermediates; Minas da Piedade, M. E., Ed.; NATO Science Series C; Kluwer: Dordrecht, The Netherlands, 1999; Vol. 535.
    • (1999) NATO Science Series , vol.100
    • Abboud, J.-L.M.1    Notario, R.2
  • 11
    • 13344282706 scopus 로고    scopus 로고
    • (Mautner), M
    • Meot-Ner (Mautner), M. Chem. Rev. 2005, 105, 213-284.
    • (2005) Chem. Rev , vol.105 , pp. 213-284
    • Meot-Ner1
  • 18
    • 66649121530 scopus 로고    scopus 로고
    • Such as cyclopentadienide anion: Meot-Ner (Mautner), M. J. Am. Chem. Soc. 1988, 110, 3858.
    • Such as cyclopentadienide anion: Meot-Ner (Mautner), M. J. Am. Chem. Soc. 1988, 110, 3858.
  • 19
    • 33750595664 scopus 로고    scopus 로고
    • Mustanir, Matsuoka, M.; Mishima, M.; Koch, H. Bull. Chem. Soc. Jpn. 2006, 79, 1118-1125.
    • (a) Mustanir, Matsuoka, M.; Mishima, M.; Koch, H. Bull. Chem. Soc. Jpn. 2006, 79, 1118-1125.
  • 22
    • 0542375240 scopus 로고    scopus 로고
    • Meot-Ner (Mautner), M.; Cybulski, S. M.; Scheiner, S.; Liebman, J. F J. Phys. Chem. 1988, 92, 2738-45.
    • Meot-Ner (Mautner), M.; Cybulski, S. M.; Scheiner, S.; Liebman, J. F J. Phys. Chem. 1988, 92, 2738-45.
  • 24
    • 0037403050 scopus 로고    scopus 로고
    • Wincel, H. Int. J. Mass Spectrom. 2003, 226, 34.1.
    • (a) Wincel, H. Int. J. Mass Spectrom. 2003, 226, 34.1.
  • 38
    • 2942550229 scopus 로고    scopus 로고
    • Negative Ion Energetics Data
    • Linstrom, P. J, Mallard, W. G, Eds, Gaithersburg, MD, available at
    • Bartmess, J. E. Negative Ion Energetics Data. In NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology (NIST): Gaithersburg, MD, 2003; available at http://webbook.nist.gov.
    • (2003) NIST Standard Reference Database Number 69
    • Bartmess, J.E.1
  • 40
    • 0035503446 scopus 로고    scopus 로고
    • Neutral fluorinated alkanes are known, to be weak hydrogen-bond acceptors. See, for example: (a) Ouvrard, C.; Berthelot, M.; Laurence, C J. Phys. Org. Chem. 2001, 14, 804-810.
    • Neutral fluorinated alkanes are known, to be weak hydrogen-bond acceptors. See, for example: (a) Ouvrard, C.; Berthelot, M.; Laurence, C J. Phys. Org. Chem. 2001, 14, 804-810.
  • 42
    • 66649092731 scopus 로고    scopus 로고
    • Laukien, F. H.; Allemann, M.; Bischofberger, P.; Grossmann, P.; Kellerhals, P.; Kopfel, P. In Fourier Transform Mass Spectrometry: Evolution, Innovation and Applications; Buchanan, M. V., Ed.; ACS Symposium Series; American Chemical Society: Washington, DC, 1987; 359, Chapter 5.
    • Laukien, F. H.; Allemann, M.; Bischofberger, P.; Grossmann, P.; Kellerhals, P.; Kopfel, P. In Fourier Transform Mass Spectrometry: Evolution, Innovation and Applications; Buchanan, M. V., Ed.; ACS Symposium Series; American Chemical Society: Washington, DC, 1987; Vol. 359, Chapter 5.
  • 45
    • 34648830541 scopus 로고    scopus 로고
    • R. Herrero, R.; Dávalos, J. Z.; Abboud, J.-L. M.; Alkorta, I.; Koppel, I. A.; Koppel, L.; Sonoda, T.; Mishima, M Int. J. Mass. Spectrom. 2007, 267, 302-307.
    • (c) R. Herrero, R.; Dávalos, J. Z.; Abboud, J.-L. M.; Alkorta, I.; Koppel, I. A.; Koppel, L.; Sonoda, T.; Mishima, M Int. J. Mass. Spectrom. 2007, 267, 302-307.
  • 50
    • 66649084450 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, L, Martin, R. L, Fox, D. J, Keit
    • 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, L.; 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 B.05; Gaussian, Inc.: Pittsburgh, PA, 2003.
  • 52
    • 66649122687 scopus 로고    scopus 로고
    • NBO, version 3.1: Glendening, E. D, Reed, A. E, Carpenter, J. E, Weinhold, F, as included in ref 29
    • NBO, version 3.1: Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F., as included in ref 29.
  • 53
    • 37049100210 scopus 로고    scopus 로고
    • In solution in tetraglyme: Bayliff, A. E.; Bryce, M. R.; Chambers, R. D.; Matthews, R. S. J. Chem. Soc., Chem. Commun. 1985, 101, 8-1019.
    • (a) In solution in tetraglyme: Bayliff, A. E.; Bryce, M. R.; Chambers, R. D.; Matthews, R. S. J. Chem. Soc., Chem. Commun. 1985, 101, 8-1019.
  • 56
    • 0000342824 scopus 로고
    • The scaled PM3 method involved full geometry optimization at the SCF level using a double-ζ-quality basis set augmented with polarization and diffuse functions
    • The scaled PM3 method involved full geometry optimization at the SCF level using a double-ζ-quality basis set augmented with polarization and diffuse functions: Dixon, D. A.; Fukunaga, T.; Smart, B. E. J. Am. Chem. Soc. 1986, 108, 4027-4031.
    • (1986) J. Am. Chem. Soc , vol.108 , pp. 4027-4031
    • Dixon, D.A.1    Fukunaga, T.2    Smart, B.E.3
  • 61
    • 66649093350 scopus 로고    scopus 로고
    • Average of the values given in ref 20
    • Average of the values given in ref 20.
  • 64
    • 84947141724 scopus 로고
    • For a discussion on AIM hydrogen-bond analysis, see, for example
    • For a discussion on AIM hydrogen-bond analysis, see, for example: Carroll, M. T.; Bader, R. W. F. Mol. Phys. 1988, 63, 387-405.
    • (1988) Mol. Phys , vol.63 , pp. 387-405
    • Carroll, M.T.1    Bader, R.W.F.2
  • 65
    • 1542615763 scopus 로고    scopus 로고
    • -1.
    • -1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.