-
3
-
-
85034696175
-
-
In Ref. 1, times of [formula omitted] and [formula omitted] ps are reported for hexadecane and [formula omitted] respectively. In Ref. 2, times in the range [formula omitted] ps are reported for [formula omitted] n ‐decane, cyclohexane, methylcyclohexane, n ‐hexane, and 2, 2‐dimethylbutane. An apparent longer time in [formula omitted] is an artifact [C. A. Langhoff (private communication)].
-
-
-
-
7
-
-
0039494971
-
-
(b) Predissociation from the B state can occur by spontaneous, field‐induced and collisional mechanisms. The former are slow processes [;
-
(1970)
Acc. Chem. Res
, vol.3
, pp. 313
-
-
Steinfeld, J.I.1
-
9
-
-
50849148446
-
-
and should be dominated by the latter at liquid state densities. Collisional predissociation in gases is thought to involve the [formula omitted] state and radiative selection rules [ ]. The validity of such selection rules in liquids is unclear.
-
(1969)
Chem. Phys. Lett
, vol.4
, pp. 217
-
-
Selwyn, J.E.1
Steinfeld, J.I.2
-
10
-
-
84952285702
-
-
It is at such distances that the various outer potential curves of [formula omitted] are within [formula omitted] of each other at 300 K and the curve crossings required for recombination can occur. The rates for such crossings are unknown. In addition, simple collisional arguments suggest that, at least for [formula omitted] (whose mass is close to that of I), the excess kinetic energy of [formula omitted](I atom) can be transferred to the solvent before the I atoms can separate much beyond this range.
-
-
-
-
18
-
-
84952285700
-
-
(c) In Ref. 12(a), the internal energy of [formula omitted] in [formula omitted] of Ar at 300 K was noted to have decreased from [formula omitted] to [formula omitted] after 10 ps.
-
-
-
-
22
-
-
85034693556
-
-
We have estimated the separation 10-11 Å from the van der Waals radius of I and a rough measure of [formula omitted] size (Ref. 14). (See also Ref. 34 below). At a separation less than 5 Å, the [formula omitted] interaction potential is more negative than [formula omitted] (Ref. 14).
-
-
-
-
23
-
-
85034694422
-
-
This estimate is based on a slip Stokes‐Einstein equation [formula omitted] with [formula omitted] [formula omitted] and the relation (Ref. 15) [formula omitted]
-
-
-
-
25
-
-
84952285697
-
-
Actually, no results for the large initial separations expected for [formula omitted] were presented in Ref. 14. Our remarks are based on a reasonable extrapolation of the results of Ref. 14.
-
-
-
-
35
-
-
84952285690
-
-
(a) The B state parameters are those determined by R. W. Field (private communication);
-
-
-
-
36
-
-
84952285691
-
-
these values are essentially the same as those in Ref. 4.
-
-
-
-
37
-
-
84952285686
-
-
state D and [formula omitted] values are taken from Morse fits [Ref. 12(b)] to data of Ref. 4.
-
A
-
-
-
54
-
-
0000113232
-
-
(a) See, e.g.,. Since [formula omitted] is not a sphere in a hard core representation, its radius is not strictly defined.
-
(1974)
J. Chem. Phys
, vol.61
, pp. 5228
-
-
Lowden, L.J.1
Chandler, D.2
-
63
-
-
4243311327
-
-
(b) The model of would suggest that interference effects in [formula omitted] collisions are small so long as the [formula omitted] frequency is comparable to its harmonic value, i.e., for values of v such that VT energy transfer is near adiabatic (Sec. IIIA).
-
(1974)
Chem. Phys. Lett
, vol.27
, pp. 611
-
-
Shin, H.K.1
Keizer, J.2
-
64
-
-
49449125606
-
-
In a simulation of highly excited [formula omitted] in an argon medium at 1200 atm [ ], [formula omitted] loses [formula omitted] of energy in [formula omitted] in the initial relaxation. This scales from low density results in rough accord with the collision frequency.
-
(1977)
Chem. Phys
, vol.23
, pp. 135
-
-
Nordholm, S.1
Jolly, D.J.2
Freasier, B.C.3
-
78
-
-
84952285728
-
-
The Rapp model is for harmonic oscillators. We have simply inserted the level‐dependent [formula omitted] frequency [formula omitted] to account for [formula omitted] anharmonicity. This is most plausible for the bottom half of the [formula omitted] well; it is only for this region that we will find the VV effect to be significant.
-
-
-
-
79
-
-
84952285725
-
-
The reduced mass μ in the prefactor in Eq. (5.1) is replaced in a more rigorous approach by a different mass factor [formula omitted] (Ref. 30). For our system, this would reduce P in Eq. (5.1) by a factor of 4 [however, it is the original Eq. (5.1) that agrees with experiment (Ref. 30)]. In addition, the [formula omitted] mode of [formula omitted] is doubly degenerate. This would increase P by a factor of 2.
-
-
-
-
84
-
-
84952285722
-
Statistical and Themal Physics
-
We estimate [formula omitted] from the Debye theory of solids [F. Reif, (McGraw‐Hill, New York, 1965)], using the adiabatic compressibility [formula omitted] [G. W. Castellan, (Addision—Wesley, Reading, Mass., 1971)] and the density [Ref. 34(a)] [formula omitted]
-
Physical Chemistry
-
-
-
85
-
-
84952285721
-
-
In the molecular dynamics results of Stace and Murrell [Ref. 12(a)], there are no dramatic decreases in the internal energy remaining in [formula omitted] after 10 ps as the solvent density is increased.
-
-
-
-
89
-
-
26444432215
-
-
In a very recent experiment, published since the submission of the present paper, find a faster time scale for [formula omitted] recombination in Xe than is predicted by us and the Wilson group (Ref. 40).
-
(1982)
Chem. Phys. Lett
, vol.85
, pp. 85
-
-
Kelley, D.F.1
Rentzepis, P.M.2
-
93
-
-
85034695200
-
-
One can easily show that each of these models predicts a vibrational relaxation time scale of at most a few ps for [formula omitted]
-
-
-
-
94
-
-
85034693785
-
-
In an especially intriguing result, Struve Ref. 6(a) has concluded that B state vibrational relaxation is incomplete on the predissociation time scale.
-
-
-
-
97
-
-
33645723148
-
-
The possibility of curve crossing involvement for [formula omitted] recombination in liquids has been suggested by Hynes et al. in Ref. 14. Recently have attempted to include curve crossing effects in a Brownian dynamics simulation.
-
(1981)
Chem. Phys
, vol.56
, pp. 241
-
-
Martire, B.1
Gilbert, R.S.2
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