메뉴 건너뛰기




Volumn 110, Issue 9, 2006, Pages 2906-2915

Tuning the hydrogen bond donor/acceptor isomerism in jet-cooled mixed dimers of aliphatic alcohols

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FREE ENERGY; HYDROGEN BONDS; ISOMERIZATION;

EID: 33645654325     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0540407     Document Type: Article
Times cited : (33)

References (39)
  • 1
    • 4444346930 scopus 로고    scopus 로고
    • 5) heterodimers: Matrix-dependent structure and infrared-induced isomerization
    • 5) heterodimers: matrix-dependent structure and infrared-induced isomerization. J. Phys. Chem. A 2004, 108, 7331-7338.
    • (2004) J. Phys. Chem. A , vol.108 , pp. 7331-7338
    • Coussan, S.1    Roubin, P.2    Perchard, J.P.3
  • 3
    • 5244380193 scopus 로고
    • Kinetics of molecular association and relaxation in a pulsed supersonic expansion
    • Emilsson, T.; Germann, T. C.; Gutowsky, H. S. Kinetics of molecular association and relaxation in a pulsed supersonic expansion. J. Chem. Phys. 1992, 96, 8830-8839.
    • (1992) J. Chem. Phys. , vol.96 , pp. 8830-8839
    • Emilsson, T.1    Germann, T.C.2    Gutowsky, H.S.3
  • 4
    • 0033572487 scopus 로고    scopus 로고
    • FTIR-spectroscopy of molecular clusters in pulsed supersonic slit-jet expansions
    • Häber, T.; Schmitt, U.; Suhm, M. A. FTIR-spectroscopy of molecular clusters in pulsed supersonic slit-jet expansions. Phys. Chem. Chem. Phys. 1999, 1, 5573-5582.
    • (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 5573-5582
    • Häber, T.1    Schmitt, U.2    Suhm, M.A.3
  • 6
    • 26444598467 scopus 로고    scopus 로고
    • High-resolution spectroscopy of induced chiral dimers: A study of the dimers of ethanol by Fourier transform microwave spectroscopy
    • Hearn, J. P. I.; Cobley, R. V.; Howard, B. J. High-resolution spectroscopy of induced chiral dimers: a study of the dimers of ethanol by Fourier transform microwave spectroscopy. J. Chem. Phys. 2005, 123, 134324.
    • (2005) J. Chem. Phys. , vol.123 , pp. 134324
    • Hearn, J.P.I.1    Cobley, R.V.2    Howard, B.J.3
  • 7
    • 36549094188 scopus 로고
    • Relaxation of conformers and isomers in seeded supersonic jets of inert gases
    • Ruoff, R. S.; Klots, T. D.; Emilsson, T.; Gutowsky, H. S. Relaxation of conformers and isomers in seeded supersonic jets of inert gases. J. Chem. Phys. 1990, 93, 3124-3150.
    • (1990) J. Chem. Phys. , vol.93 , pp. 3124-3150
    • Ruoff, R.S.1    Klots, T.D.2    Emilsson, T.3    Gutowsky, H.S.4
  • 9
    • 0000908154 scopus 로고    scopus 로고
    • Rotational-isomerism of ethanol and matrix isolation infrared spectroscopy
    • Coussan, S.; Boutellier, Y.; Perchard, J. P.; Zheng, W. Q. Rotational-isomerism of ethanol and matrix isolation infrared spectroscopy. J. Phys. Chem. A 1998, 102, 5789-5793.
    • (1998) J. Phys. Chem. A , vol.102 , pp. 5789-5793
    • Coussan, S.1    Boutellier, Y.2    Perchard, J.P.3    Zheng, W.Q.4
  • 10
    • 10944261938 scopus 로고    scopus 로고
    • Free and pulsed jet rotational spectra and van der Waals motions of ethanol-argon
    • Maris, A.; Caminathi, W.; Velino, B.; Andrews, C. M.; Howard, B. J. Free and pulsed jet rotational spectra and van der Waals motions of ethanol-argon. Chem. Phys. Lett. 2004, 399, 39-46.
    • (2004) Chem. Phys. Lett. , vol.399 , pp. 39-46
    • Maris, A.1    Caminathi, W.2    Velino, B.3    Andrews, C.M.4    Howard, B.J.5
  • 12
    • 0035865979 scopus 로고    scopus 로고
    • Anharmonicity and hydrogen bonding. I. A near-infrared study of methanol trapped in nitrogen and matrices
    • Perchard, J. P.; Mielke, Z. Anharmonicity and hydrogen bonding. I. A near-infrared study of methanol trapped in nitrogen and matrices. Chem. Phys. 2001, 264, 221-234.
    • (2001) Chem. Phys. , vol.264 , pp. 221-234
    • Perchard, J.P.1    Mielke, Z.2
  • 13
    • 33645663951 scopus 로고    scopus 로고
    • Ph.D. Thesis, Universität Göttingen
    • Borho, N. Ph.D. Thesis, Universität Göttingen, 2004.
    • (2004)
    • Borho, N.1
  • 14
    • 33645679479 scopus 로고    scopus 로고
    • note
    • Ragout and filet are pictorial acronyms paraphrasing characteristic features of the corresponding jet-FTIR experiments, namely, a mixture of clusters of different size/composition in a fluid environment and an extended expansion zone.
  • 16
    • 33645672600 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by Werner, H.-J.; Knowles, P. with contributions from Amos, R. D.; et al., Version 2002.6, University of Cardiff, UK
    • MOLPRO is a package of ab initio programs written by Werner, H.-J.; Knowles, P. with contributions from Amos, R. D.; et al., Version 2002.6, University of Cardiff, UK.
  • 17
    • 0000170843 scopus 로고    scopus 로고
    • Spectroscopy and quantum dynamics of hydrogen fluoride clusters
    • Bowman, J. M., Bačić, Z., Eds.; Advances in Molecular Vibrations and Collision Dynamics; JAI Press: London
    • Quack, M.; Suhm, M. A. Spectroscopy and quantum dynamics of hydrogen fluoride clusters. In Molecular Clusters; Bowman, J. M., Bačić, Z., Eds.; Advances in Molecular Vibrations and Collision Dynamics, Vol. III; JAI Press: London, 1998; pp 205-248.
    • (1998) Molecular Clusters , vol.3 , pp. 205-248
    • Quack, M.1    Suhm, M.A.2
  • 18
    • 0003106127 scopus 로고
    • Probing the dynamics of weakly bound complexes using high-resolution laser spectroscopy
    • Bemish, R. J.; Wu, M.; Miller, R. E. Probing the dynamics of weakly bound complexes using high-resolution laser spectroscopy. Faraday Discuss. 1994, 97, 57-68.
    • (1994) Faraday Discuss. , vol.97 , pp. 57-68
    • Bemish, R.J.1    Wu, M.2    Miller, R.E.3
  • 19
    • 0000180196 scopus 로고    scopus 로고
    • Breaking symmetry with hydrogen bonds: Vibrational predissociation and isomerization dynamics in HF-DF and DF-HF isotopomers
    • Farrell, J. T., Jr.; Suhm, M. A.; Nesbitt, D. J. Breaking symmetry with hydrogen bonds: vibrational predissociation and isomerization dynamics in HF-DF and DF-HF isotopomers. J. Chem. Phys. 1996, 104, 9313-9331.
    • (1996) J. Chem. Phys. , vol.104 , pp. 9313-9331
    • Farrell Jr., J.T.1    Suhm, M.A.2    Nesbitt, D.J.3
  • 20
    • 0031561422 scopus 로고    scopus 로고
    • Dissociation dynamics of oriented DF-HF and HF-DF complexes: Evidence for direct and indirect dissociation
    • Oudejans, L.; Miller, R. E. Dissociation dynamics of oriented DF-HF and HF-DF complexes: Evidence for direct and indirect dissociation. J. Phys. Chem. A 1997, 101, 7582-7592.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 7582-7592
    • Oudejans, L.1    Miller, R.E.2
  • 21
    • 0000347765 scopus 로고    scopus 로고
    • HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations
    • Klopper, W.; Quack, M.; Suhm, M. A. HF dimer: empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations. J. Chem. Phys. 1998, 108, 10096-10115.
    • (1998) J. Chem. Phys. , vol.108 , pp. 10096-10115
    • Klopper, W.1    Quack, M.2    Suhm, M.A.3
  • 22
    • 36449000137 scopus 로고
    • Initial state effects in the vibrational predissociation of hydrogen fluoride dimer
    • Bohac, E. J.; Marshall, M. D.; Miller, R. E. Initial state effects in the vibrational predissociation of hydrogen fluoride dimer. J. Chem. Phys. 1992, 96, 6681-6695.
    • (1992) J. Chem. Phys. , vol.96 , pp. 6681-6695
    • Bohac, E.J.1    Marshall, M.D.2    Miller, R.E.3
  • 23
    • 36549101715 scopus 로고
    • Vibrational predissociation, tunneling, and rotational saturation in the HF and DF dimers
    • Pine, A. S.; Lafferty, W. J.; Howard, B. J. Vibrational predissociation, tunneling, and rotational saturation in the HF and DF dimers. J. Chem. Phys. 1984, 81 (7), 2939-2950.
    • (1984) J. Chem. Phys. , vol.81 , Issue.7 , pp. 2939-2950
    • Pine, A.S.1    Lafferty, W.J.2    Howard, B.J.3
  • 25
    • 9344254425 scopus 로고    scopus 로고
    • Direct proportionality of the hydrogen bonding energy and the intensification of the stretching v(XH) vibration in infrared spectra
    • Iogansen, A. V. Direct proportionality of the hydrogen bonding energy and the intensification of the stretching v(XH) vibration in infrared spectra. Spectrochim. Acta A 1999, 55, 1585-1612.
    • (1999) Spectrochim. Acta A , vol.55 , pp. 1585-1612
    • Iogansen, A.V.1
  • 26
    • 0034659236 scopus 로고    scopus 로고
    • An empirical correlation between stretching vibration redshift and hydrogen bond length
    • Rozenberg, M.; Loewenschuss, A.; Marcus, Y. An empirical correlation between stretching vibration redshift and hydrogen bond length. Phys. Chem. Chem. Phys. 2000, 2, 2699-2702.
    • (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2699-2702
    • Rozenberg, M.1    Loewenschuss, A.2    Marcus, Y.3
  • 27
    • 25444505975 scopus 로고    scopus 로고
    • An enthalpic scale of hydrogen-bond basicity. 3. Ammonia, primary, secondary, and tertiary amines
    • Graton, J.; Berthelot, M.; Besseau, F.; Laurence, C. An enthalpic scale of hydrogen-bond basicity. 3. Ammonia, primary, secondary, and tertiary amines. J. Org. Chem. 2005, 70, 7892-7901.
    • (2005) J. Org. Chem. , vol.70 , pp. 7892-7901
    • Graton, J.1    Berthelot, M.2    Besseau, F.3    Laurence, C.4
  • 28
    • 36849132880 scopus 로고
    • Spectroscopic study of the hydrogen bond. II. the shift of the O-H vibrational frequency in the formation of the hydrogen bond
    • Badger, R. M.; Bauer, S. H. Spectroscopic study of the hydrogen bond. II. The shift of the O-H vibrational frequency in the formation of the hydrogen bond. J. Chem. Phys. 1937, 5, 839-851.
    • (1937) J. Chem. Phys. , vol.5 , pp. 839-851
    • Badger, R.M.1    Bauer, S.H.2
  • 29
    • 4043181912 scopus 로고    scopus 로고
    • Extension of panoramic cluster jet spectroscopy into the far infrared: Low-frequency modes of methanol and water clusters
    • Liu, Y.; Weimann, M.; Suhm, M. A. Extension of panoramic cluster jet spectroscopy into the far infrared: low-frequency modes of methanol and water clusters. Phys. Chem. Chem. Phys. 2004, 6, 3315-3319.
    • (2004) Phys. Chem. Chem. Phys. , vol.6 , pp. 3315-3319
    • Liu, Y.1    Weimann, M.2    Suhm, M.A.3
  • 30
    • 0001051435 scopus 로고    scopus 로고
    • Experimental study of the O-H ring vibrations of the methanol trimer
    • Huisken, F.; Kaloudis, M.; Koch, M.; Werhahn, O. Experimental study of the O-H ring vibrations of the methanol trimer. J. Chem. Phys. 1996, 105, 8965-8968.
    • (1996) J. Chem. Phys. , vol.105 , pp. 8965-8968
    • Huisken, F.1    Kaloudis, M.2    Koch, M.3    Werhahn, O.4
  • 31
    • 0031698097 scopus 로고    scopus 로고
    • Structure and vibrational spectra of methanol clusters from a new potential model
    • Buck, U.; Siebers, J.-G.; Wheatley, R. J. Structure and vibrational spectra of methanol clusters from a new potential model. J. Chem. Phys. 1998, 108, 20-32.
    • (1998) J. Chem. Phys. , vol.108 , pp. 20-32
    • Buck, U.1    Siebers, J.-G.2    Wheatley, R.J.3
  • 33
    • 0031646312 scopus 로고    scopus 로고
    • Density functional theory calculations of the structures, binding energies, and infrared spectra of methanol clusters
    • Hagemeister, F. C.; Gruenloh, C. J.; Zwier, T. S. Density functional theory calculations of the structures, binding energies, and infrared spectra of methanol clusters. J. Phys. Chem. A 1998, 102, 82-94.
    • (1998) J. Phys. Chem. A , vol.102 , pp. 82-94
    • Hagemeister, F.C.1    Gruenloh, C.J.2    Zwier, T.S.3
  • 34
    • 0035836317 scopus 로고    scopus 로고
    • Hydrogen-bonded rings, chains and lassos: The case of tert-butyl alcohol clusters
    • Zimmermann, D.; Häber, Th.; Schaal, H.; Suhm, M. A. Hydrogen-bonded rings, chains and lassos: the case of tert-butyl alcohol clusters. Mol. Phys. 2001, 99, 413-426.
    • (2001) Mol. Phys. , vol.99 , pp. 413-426
    • Zimmermann, D.1    Häber, T.2    Schaal, H.3    Suhm, M.A.4
  • 36
    • 33645679962 scopus 로고    scopus 로고
    • Competing hydrogen bond topologies in 2-fluoroethanol dimer
    • doi: 10.1016/j.molstruc.2005.09.022
    • Scharge, T.; Emmeluth, C.; Häber, Th.; Suhm, M. A. Competing hydrogen bond topologies in 2-fluoroethanol dimer. J. Mol Struct. 2006; doi: 10.1016/j.molstruc.2005.09.022.
    • (2006) J. Mol Struct.
    • Scharge, T.1    Emmeluth, C.2    Häber, T.3    Suhm, M.A.4
  • 37
    • 15944418894 scopus 로고    scopus 로고
    • Dimerization of pyrazole in slit jet expansions
    • Rice, C. A.; Borho, N.; Suhm, M. A. Dimerization of pyrazole in slit jet expansions. Z. Phys. Chem. 2005, 219, 379-388.
    • (2005) Z. Phys. Chem. , vol.219 , pp. 379-388
    • Rice, C.A.1    Borho, N.2    Suhm, M.A.3
  • 38
    • 0001690651 scopus 로고    scopus 로고
    • Phenol-(ethanol)i isomers studied by double-resonance spectroscopy and ab initio calculations
    • Spangenberg, D.; Imhof, P.; Roth, W.; Janzen, Ch.; Kleinermanns, K. Phenol-(ethanol)i isomers studied by double-resonance spectroscopy and ab initio calculations. J. Phys. Chem. A 1999, 103, 5918-5924.
    • (1999) J. Phys. Chem. A , vol.103 , pp. 5918-5924
    • Spangenberg, D.1    Imhof, P.2    Roth, W.3    Janzen, Ch.4    Kleinermanns, K.5
  • 39
    • 84890021933 scopus 로고
    • The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
    • Boys, S. F.; Bernardi, F. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol. Phys. 1970, 19, 553-566.
    • (1970) Mol. Phys. , vol.19 , pp. 553-566
    • Boys, S.F.1    Bernardi, F.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.