Photoelectron spectra of two species, and , that are produced by the addition of two water or methanol molecules to are interpreted with density-functional geometry optimizations and electron propagator calculations of vertical electron detachment energies. In both cases, there is only one isomer that is responsible for the observed spectral features. A high barrier to the addition of a second molecule may impede the formation of clusters in an analogous experiment with .
REFERENCES
1.
F. A.
Akin
and C. C.
Jarrold
, J. Chem. Phys.
118
, 5841
(2003
).2.
U.
Das
, K.
Raghavachari
, and C. C.
Jarrold
, J. Chem. Phys.
122
, 014313
(2005
).3.
R. B.
Wyrwas
, C. C.
Jarrold
, U.
Das
, and K.
Raghavachari
, J. Chem. Phys.
124
, 201101
(2006
).4.
S. R.
Desai
, H.
Wu
, and L. S.
Wang
, Int. J. Mass Spectrom. Ion Process.
159
, 75
(1996
).5.
S. R.
Desai
, H.
Wu
, C. M.
Rohlfing
, and L. S.
Wang
, J. Chem. Phys.
106
, 1309
(1997
).6.
H.
Wu
, X.
Li
, X. B.
Wang
, C. F.
Ding
, and L. S.
Wang
, J. Chem. Phys.
109
, 449
(1998
).7.
F. A.
Akin
and C. C.
Jarrold
, J. Chem. Phys.
118
, 1773
(2003
).8.
G.
Meloni
, M. J.
Ferguson
, and D. M.
Neumark
, Phys. Chem. Chem. Phys.
5
, 4073
(2003
).9.
J. R.
Scott
, G. S.
Groenewold
, A. K.
Gianotto
, M. T.
Benson
, and J. B.
Wright
, J. Phys. Chem. A
104
, 7079
(2000
).10.
A. K.
Gianotto
, J. W.
Rawlinson
, K. C.
Cossel
, J. E.
Olson
, A. D.
Appelhans
, and G. S.
Groenwold
, J. Am. Chem. Soc.
126
, 8275
(2004
).11.
E. F.
Archibong
and S.
St-Amant
, J. Phys. Chem. A
103
, 1109
(1999
).12.
T. K.
Ghanty
and E. R.
Davidson
, J. Phys. Chem. A
103
, 2867
(1999
).13.
T. K.
Ghanty
and E. R.
Davidson
, J. Phys. Chem. A
103
, 8985
(1999
).14.
A.
Martínez
, F. J.
Tenorio
, and J. V.
Ortiz
, J. Phys. Chem. A
105
, 8787
(2001
).15.
A.
Martínez
, F. J.
Tenorio
, and J. V.
Ortiz
, J. Phys. Chem. A
105
, 11291
(2001
).16.
A.
Martínez
, L. E.
Sansores
, R.
Salcedo
, F. J.
Tenorio
, and J. V.
Ortiz
, J. Phys. Chem. A
106
, 10630
(2002
).17.
A.
Martínez
, F. J.
Tenorio
, and J. V.
Ortiz
, J. Phys. Chem. A
107
, 2589
(2003
).18.
X. Y.
Cui
, I.
Morrison
, and J. G.
Han
, J. Chem. Phys.
117
, 1077
(2002
).19.
F. J.
Tenorio
, I.
Murray
, A.
Martínez
, K. J.
Klabunde
, and J. V.
Ortiz
, J. Chem. Phys.
120
, 7955
(2004
).20.
F. A.
Akin
and C. C.
Jarrold
, J. Chem. Phys.
120
, 8698
(2004
).21.
A.
Guevara-García
, A.
Martínez
, and J. V.
Ortiz
, J. Chem. Phys.
122
, 214309
(2005
).22.
M. J.
Frisch
, G. W.
Trucks
, H. B.
Schlegel
et al, GAUSSIAN 03, Revision B.05, Gaussian, Inc.
, Pittsburgh, PA, 2003
.23.
A. D.
Becke
, J. Chem. Phys.
98
, 5648
(1993
);C.
Lee
, W.
Yang
, and R. G.
Parr
, Phys. Rev. B
37
, 785
(1988
);B.
Mielich
, A.
Savin
, H.
Stoll
, and H.
Preuss
, Chem. Phys. Lett.
157
, 200
(1989
).24.
R.
Krishnan
, J. S.
Binkley
, R.
Seeger
, and J. A.
Pople
, J. Chem. Phys.
72
, 650
(1980
);T.
Clark
, J.
Chandrasekhar
, G. W.
Spitznagel
, and P. v. R.
Schleyer
, J. Comput. Chem.
4
, 294
(1983
);M. J.
Frisch
, J. A.
Pople
, and J. S.
Binkley
, J. Chem. Phys.
80
, 3265
(1984
).25.
C.
Peng
, P. Y.
Ayala
, H. B.
Schlegel
, and M. J.
Frisch
, J. Comput. Chem.
16
, 49
(1995
);26.
J.
Linderberg
and Y.
Öhrn
, Propagators in Quantum Chemistry
, 2nd ed. (Wiley
, Hoboken, NJ
,2004
).27.
J. V.
Ortiz
, J. Chem. Phys.
104
, 7599
(1996
);A. M.
Ferreira
, G.
Seabra
, O.
Dolgounitcheva
, V. G.
Zakrzewski
, and J. V.
Ortiz
, in Quantum-Mechanical Prediction of Thermochemical Data
, edited by J.
Cioslowski
(Kluwer
, Dordrecht
, 2001
), p. 131
.28.
N.
Müller
and A.
Falk
, BALL & STICK 3.7.6, molecular graphics software for MacOS, Johannes Kepler University
, Linz, Austria, 2000
.29.
A.
Guevara-García
, A.
Martínez
, and J. V.
Ortiz
, J. Chem. Phys.
124
, 214304
(2006
).30.
P. E. M.
Siegbahn
, JBIC, J. Biol. Inorg. Chem.
11
, 695
(2006
).© 2007 American Institute of Physics.
2007
American Institute of Physics
You do not currently have access to this content.
