-
1
-
-
0001727466
-
-
Graener, H.; Seifert, G.; Laubereau, A. Phys. Rev. Lett. 1991, 66, 2092.
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 2092
-
-
Graener, H.1
Seifert, G.2
Laubereau, A.3
-
2
-
-
0030696821
-
-
Woutersen, S.; Emmerichs, U.; Bakker, H. J. Science 1997, 278, 658.
-
(1997)
Science
, vol.278
, pp. 658
-
-
Woutersen, S.1
Emmerichs, U.2
Bakker, H.J.3
-
3
-
-
11544264044
-
-
Woutersen, S.; Emmerichs, U.; Nienhuys, H.-K.; Bakker, H. J. Phys. Rev. Lett. 1998, 81, 1106.
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 1106
-
-
Woutersen, S.1
Emmerichs, U.2
Nienhuys, H.-K.3
Bakker, H.J.4
-
4
-
-
14844347448
-
-
Nienhuys, H.-K.; Woutersen, S.; van Santen, R. A.; Bakker, H. J. J. Chem. Phys. 1999, 111, 1494.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 1494
-
-
Nienhuys, H.-K.1
Woutersen, S.2
Van Santen, R.A.3
Bakker, H.J.4
-
5
-
-
0000848420
-
-
Laenen, R.; Rauscher, C.; Laubereau, A. Phys. Rev. Lett. 1998, 80, 2622.
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 2622
-
-
Laenen, R.1
Rauscher, C.2
Laubereau, A.3
-
6
-
-
0001014131
-
-
Laenen, R.; Rauscher, C.; Laubereau, A. J. Phys. Chem. B 1998, 102, 9304.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 9304
-
-
Laenen, R.1
Rauscher, C.2
Laubereau, A.3
-
7
-
-
0001353468
-
-
Gale, G. M.; Gallot, G.; Hache, F.; Lascoux, N.; Bratos, S.; Leicknam, J.-C. Phys. Rev. Lett. 1999, 82, 1068.
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 1068
-
-
Gale, G.M.1
Gallot, G.2
Hache, F.3
Lascoux, N.4
Bratos, S.5
Leicknam, J.-C.6
-
8
-
-
0000922889
-
-
Bratos, S.; Gale, G. M.; Gallot, G.; Hache, F.; Lascoux, N.; Leicknam, J.-C. Phys. Rev. E 2000, 61, 5211.
-
(2000)
Phys. Rev. E
, vol.61
, pp. 5211
-
-
Bratos, S.1
Gale, G.M.2
Gallot, G.3
Hache, F.4
Lascoux, N.5
Leicknam, J.-C.6
-
10
-
-
0034662953
-
-
Bakker, H. J.; Woutersen, S.; Nienhuys, H.-K. Chem. Phys. 2000, 258, 233.
-
(2000)
Chem. Phys.
, vol.258
, pp. 233
-
-
Bakker, H.J.1
Woutersen, S.2
Nienhuys, H.-K.3
-
11
-
-
0000695861
-
-
Gallot, G.; Lascoux, N.; Gale, G. M.; Leicknam, J.-C.; Bratos, S.; Pommeret, S. Chem. Phys. Lett. 2001, 341, 535.
-
(2001)
Chem. Phys. Lett.
, vol.341
, pp. 535
-
-
Gallot, G.1
Lascoux, N.2
Gale, G.M.3
Leicknam, J.-C.4
Bratos, S.5
Pommeret, S.6
-
12
-
-
0037040044
-
-
Bakker, H. J.; Nienhuys, H.-K.; Gallot, G.; Lascoux, N.; Gale, G. M.; Leicknam, J.-C.; Bratos, S. J. Chem. Phys. 2002, 116, 2592.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 2592
-
-
Bakker, H.J.1
Nienhuys, H.-K.2
Gallot, G.3
Lascoux, N.4
Gale, G.M.5
Leicknam, J.-C.6
Bratos, S.7
-
13
-
-
0038492095
-
-
Deàk, J. C.; Rhea, S. T.; Iwaki, L. K.; Dlott, D. D. J. Phys. Chem. A 2000, 104, 4866.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4866
-
-
Deàk, J.C.1
Rhea, S.T.2
Iwaki, L.K.3
Dlott, D.D.4
-
14
-
-
39249084545
-
-
Stenger, J.; Madsen, D.; Hamm, P.; Nibbering, E. T. J.; Elsaesser, T. Phys. Rev. Lett. 2001, 87, 027401.
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 027401
-
-
Stenger, J.1
Madsen, D.2
Hamm, P.3
Nibbering, E.T.J.4
Elsaesser, T.5
-
15
-
-
0037076119
-
-
Stenger, J.; Madsen, D.; Hamm, P.; Nibbering, E. T. J.; Elsaesser, T. J. Phys. Chem. A 2002, 106, 2341.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 2341
-
-
Stenger, J.1
Madsen, D.2
Hamm, P.3
Nibbering, E.T.J.4
Elsaesser, T.5
-
20
-
-
0037137666
-
-
Rey, R.; Møller, K. B.; Hynes, J. T. J. Phys. Chem. A 2002, 106, 11993.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 11993
-
-
Rey, R.1
Møller, K.B.2
Hynes, J.T.3
-
21
-
-
1442280243
-
-
note
-
These considerations are over and above the point that the experiments of refs 5 and 6 represent average measurements, rather than, e.g., single molecule experiments.
-
-
-
-
23
-
-
36749115880
-
-
Krishnamurthy, S.; Bansil, R.; Wiafe-Akenten, J. J. Chem. Phys. 1983, 79, 5863.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 5863
-
-
Krishnamurthy, S.1
Bansil, R.2
Wiafe-Akenten, J.3
-
24
-
-
24244449060
-
-
Hasted, J. B.; Husain, S. K.; Frescura, F. A. M.; Birch, J. R. Chem. Phys. Lett. 1985, 118, 622.
-
(1985)
Chem. Phys. Lett.
, vol.118
, pp. 622
-
-
Hasted, J.B.1
Husain, S.K.2
Frescura, F.A.M.3
Birch, J.R.4
-
27
-
-
0037035158
-
-
note
-
In this connection it is of interest to note that underdamped H-bond motion is assumed in the theoretical work of one of us on proton-transfer reactions, in solution (see e.g.: Kiefer, P. M.; Hynes, J. T. J. Phys. Chem. A 2002, 106, 1850)
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 1850
-
-
Kiefer, P.M.1
Hynes, J.T.2
-
28
-
-
0035810456
-
-
and that oscillations have been experimentally observed for an intramolecular H bond in the following: Stenger, J.; Madsen, D.; Dreyer, J.; Nibbering, E. T. J.; Hamm, P.; Elsaesser, T. J. Phys. Chem. A 2001, 105, 2929.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2929
-
-
Stenger, J.1
Madsen, D.2
Dreyer, J.3
Nibbering, E.T.J.4
Hamm, P.5
Elsaesser, T.6
-
29
-
-
0242712467
-
-
Elasaesser, T., Bakker, H. J., Eds.; Kluwer: Dordrecht, The Netherlands
-
For a discussion of the connection of hydrogen bonding and proton transfer, see: Kiefer, P. M.; Hynes, J. T. In Ultrafast Hydrogen Bonding Dynamics and Proton-Transfer Processes in the Condensed Phase; Elasaesser, T., Bakker, H. J., Eds.; Kluwer: Dordrecht, The Netherlands, 2002.
-
(2002)
Ultrafast Hydrogen Bonding Dynamics and Proton-Transfer Processes in the Condensed Phase
-
-
Kiefer, P.M.1
Hynes, J.T.2
-
30
-
-
1442353665
-
-
note
-
For reasons that will become evident in Section 4.1, we do not analyze the velocity correlation function in Figure 2 in terms of any model such as a Brownian oscillator model. We will comment on such models for a different correlation function in Section 4.2.
-
-
-
-
40
-
-
1242346370
-
-
Berendsen, H.; Grigera, J.; Straatsma, T. J. Phys. Chem. 1987, 91, 6269.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269
-
-
Berendsen, H.1
Grigera, J.2
Straatsma, T.3
-
42
-
-
33750587438
-
-
Berendsen, H.; Postma, J.; Van Gunsteren, W.; DiNola, A.; Haak, J. J. Chem. Phys. 1984, 81, 3684.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684
-
-
Berendsen, H.1
Postma, J.2
Van Gunsteren, W.3
DiNola, A.4
Haak, J.5
-
45
-
-
4444340929
-
-
Benedict, W. S.; Gailar, N.; Plyler, E. J. Chem. Phys. 1956, 24, 1139.
-
(1956)
J. Chem. Phys.
, vol.24
, pp. 1139
-
-
Benedict, W.S.1
Gailar, N.2
Plyler, E.3
-
50
-
-
36749114311
-
-
Oxtoby, D. W.; Levesque, D.; Weiss, J.-J. J. Chem. Phys. 1978, 68, 5528.
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 5528
-
-
Oxtoby, D.W.1
Levesque, D.2
Weiss, J.-J.3
-
53
-
-
1442304813
-
-
note
-
In using this Coulombic terminology, we are of course here dealing with the given description in terms of short range and Coulombic forces, and not the more fundamental issue of the electronic character of the H bond (see e.g. refs 44 and 45 and references therein)
-
-
-
-
56
-
-
1442353663
-
-
note
-
More precisely, the appropriate combination of the electric fields at the charge sites for OH.
-
-
-
-
62
-
-
1442329239
-
-
note
-
Indeed, this approach has been followed in ref 49 for the frequency correlation function; we comment further on this in Sections 4.2 and 5.
-
-
-
-
63
-
-
0141432008
-
-
note
-
Fecko, C. J.; Eaves, J. D.; Loparo, J. J.; Tokmakoff, A.; Geissler, P. L. Science 2003, 301, 1698. We thank the authors for sending us a preprint of this paper, received after the work described in the present article was completed.
-
(2003)
Science
, vol.301
, pp. 1698
-
-
Fecko, C.J.1
Eaves, J.D.2
Loparo, J.J.3
Tokmakoff, A.4
Geissler, P.L.5
-
64
-
-
0012198979
-
-
Ojamae, L.; Hermansson, K.; Probst, M. Chem. Phys. Lett. 1992, 191, 500.
-
(1992)
Chem. Phys. Lett.
, vol.191
, pp. 500
-
-
Ojamae, L.1
Hermansson, K.2
Probst, M.3
-
65
-
-
1442280238
-
-
note
-
-1).
-
-
-
-
66
-
-
0031576302
-
-
Silvestrelli, P. L.; Bernasconi, M.; Parrinello, M. Chem. Phys. Lett. 1997, 277, 478.
-
(1997)
Chem. Phys. Lett.
, vol.277
, pp. 478
-
-
Silvestrelli, P.L.1
Bernasconi, M.2
Parrinello, M.3
-
68
-
-
0012154377
-
-
Ojamae, L.; Tegenfeldt, J.; Lindgren, J.; Hermansson, K. Chem. Phys. Lett. 1992, 195, 97.
-
(1992)
Chem. Phys. Lett.
, vol.195
, pp. 97
-
-
Ojamae, L.1
Tegenfeldt, J.2
Lindgren, J.3
Hermansson, K.4
-
72
-
-
1442353669
-
-
note
-
A related conclusion from a different perspective has been reached in ref 49.
-
-
-
-
73
-
-
1442329232
-
-
note
-
The numbers quoted here are slightly different from those reported in ref 16 due to a changed fitting procedure.
-
-
-
-
74
-
-
0037423048
-
-
Yeremenko, S.; Pshenichnikov, M. S.; Wiersma, D. A. Chem. Phys. Lett. 2003, 269, 107.
-
(2003)
Chem. Phys. Lett.
, vol.269
, pp. 107
-
-
Yeremenko, S.1
Pshenichnikov, M.S.2
Wiersma, D.A.3
-
75
-
-
1442353670
-
-
note
-
eq is the equilibrium separation for an intact H-bonded species, is divergent on longer time scales for the same reason.
-
-
-
-
76
-
-
0028214347
-
-
Jimenez, R.; Fleming, G. R.; Kumar, P. V.; Maroncelli, M. Nature 1994, 369, 471.
-
(1994)
Nature
, vol.369
, pp. 471
-
-
Jimenez, R.1
Fleming, G.R.2
Kumar, P.V.3
Maroncelli, M.4
-
77
-
-
0029403121
-
-
Horng, M. L.; Gardecki, J. A.; Papazyan, A.; Maroncelli, M. J. Phys. Chem. 1995, 99, 17311.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 17311
-
-
Horng, M.L.1
Gardecki, J.A.2
Papazyan, A.3
Maroncelli, M.4
-
78
-
-
1442329238
-
-
Ratajczak, H., Orville-Thomas, W. J., Eds.; John Wiley and Sons: New York
-
Bratos, S.; Lascombe, J.; Novak, A. In The Hydrogen Bond; Ratajczak, H., Orville-Thomas, W. J., Eds.; John Wiley and Sons: New York, 1980.
-
(1980)
The Hydrogen Bond
-
-
Bratos, S.1
Lascombe, J.2
Novak, A.3
-
82
-
-
2742586180
-
-
Janoschek, R.; Wiedemann, E. G.; Zundel, G. J. Chem. Soc., Faraday Trans. 2 1973, 69, 505.
-
(1973)
J. Chem. Soc., Faraday Trans. 2
, vol.69
, pp. 505
-
-
Janoschek, R.1
Wiedemann, E.G.2
Zundel, G.3
-
84
-
-
33751500687
-
-
note
-
Klippenstein, S. K.; Hynes, J. T. J. Phys. Chem. 1991, 95, 4651. In view of our results concerning the OO distance for H-bonded pairs in Section 4 and our remarks concerning the electric field in Section 2.5.2, a more orthogonal partitioning than was employed in this reference might prove useful.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 4651
-
-
Klippenstein, S.K.1
Hynes, J.T.2
-
88
-
-
1442329234
-
-
note
-
R′(t) restricted to H-bonded pairs is invalid. We also note here that the reason that no such modeling for the OO velocity correlation func tion in Figure 2 was done (see ref 24) is that this function has longer time contributions from dissociating trajectories; thus, a bound oscillator should have zero time area for this correlation function, but that of Figure 2 has a finite area.
-
-
-
-
89
-
-
1442280240
-
-
note
-
2O, see ref 69.
-
-
-
-
90
-
-
79953212449
-
-
Marti, J.; Padró, J. A.; Gùardia, E. Mol. Simul. 1993, 11, 321.
-
(1993)
Mol. Simul.
, vol.11
, pp. 321
-
-
Marti, J.1
Padró, J.A.2
Gùardia, E.3
-
91
-
-
36448999969
-
-
Mizoguchi, K.; Hori, A.; Tominaga, Y. J. Chem. Phys. 1992, 97, 1961.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1961
-
-
Mizoguchi, K.1
Hori, A.2
Tominaga, Y.3
-
92
-
-
0003551299
-
-
ter Haar, D., Ed.; Oliver and Boyd: Edinburg
-
Kubo, R. In Fluctuations, Relaxation, and Resonance in Magnetic Systems; ter Haar, D., Ed.; Oliver and Boyd: Edinburg, 1962.
-
(1962)
Fluctuations, Relaxation, and Resonance in Magnetic Systems
-
-
Kubo, R.1
-
94
-
-
84986840494
-
-
Morresi, A.; Mariani, L.; Distefano, M. R.; Giorgini, M. G. J. Raman Spectrosc. 1995, 26, 179.
-
(1995)
J. Raman Spectrosc.
, vol.26
, pp. 179
-
-
Morresi, A.1
Mariani, L.2
Distefano, M.R.3
Giorgini, M.G.4
-
96
-
-
1442353673
-
-
note
-
-1 has been reported in ref 7. We emphasize that we are here examining the hole dynamics governed exclusively by the ground OH vibrational state dynamics. The Stokes shift would involve investigation of the difference of the average O → 1 bleaching frequency and the 1 → 0 emission frequency after the pump, with the latter occurring with the vibrationally excited OH state dynamics. While one could consider assorted models for this exploiting the analogy between vibrational states and electronic states and adopting models for e.g., different average OH dipole moments in the ground and excited vibrational states to make contact with treatments of electronic Stokes shifts, we do not pursue this here.
-
-
-
-
100
-
-
0030590172
-
-
Diraison, M.; Guissani, Y.; Leicknam, J.-C.; Bratos, S. Chem. Phys. Lett. 1996, 258, 348.
-
(1996)
Chem. Phys. Lett.
, vol.258
, pp. 348
-
-
Diraison, M.1
Guissani, Y.2
Leicknam, J.-C.3
Bratos, S.4
-
101
-
-
1442304809
-
-
note
-
Lawrence and Skinner, in an examination of the four point and two point correlation functions of the fluctuating OH frequency, conclude that while the OH frequency is not Gaussian, "this approximation could still lead to fairly accurate results".
-
-
-
-
102
-
-
1442304811
-
-
note
-
-2, but this only applies for about 15 fs, during which C(t) has decayed by only about 15%.
-
-
-
-
103
-
-
1442304814
-
-
note
-
On the other hand, the Gaussian spectrum shown in Figure 19 is a good representation of the density-of-states histogram in Figure 6.
-
-
-
-
104
-
-
1442329231
-
-
note
-
The distinction between thermal H-bond breaking and vibrational predissociation is evidently not always appreciated.
-
-
-
-
105
-
-
33947462781
-
-
note
-
Thus, attention to the various H-bonding issues discussed within might prove of value in analyzing e.g. time-dependent fluorescence solvation dynamics in aqueous systems. In this connection, see also: Pimentel, G. C. J. Am. Chem. Soc. 1957, 79, 3323.
-
(1957)
J. Am. Chem. Soc.
, vol.79
, pp. 3323
-
-
Pimentel, G.C.1
-
109
-
-
0036849849
-
-
Nienhuys, H.-K.; Lock, A. J.; Van Santen, R. A.; Bakker, H. J. J. Chem. Phys. 2002, 117, 8021.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 8021
-
-
Nienhuys, H.-K.1
Lock, A.J.2
Van Santen, R.A.3
Bakker, H.J.4
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