Re: CCL: Summary of Ion-water clusters
Dear Sir:
More useful answers for my question (Please teach me the recent
literatures and reviews of ion-water clusters) were gotten.
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X-Sender: ss -8 at 8- mail.clemson.edu
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Date: Wed, 28 Jul 1999 09:16:14 -0400
To: ep7 -8 at 8- dent.okayama-u.ac.jp (Masamura)
From: "Steven J. Stuart" <ss -8 at 8- CLEMSON.EDU>
Subject: Re: CCL:Summary of Ion-water clusters
X-UIDL: V`Ce9<*H!!nL=!!#lid9
Below are a collection of references concerning ion/water clusters. Most
are concerning halide ions in water clusters. Unfortunately, the only good
review article I know of is the one by Castleman and Keesee, which is
somewhat dated at this point.
If your interest is halide and/or chloride ion, I would also be happy to
send you a preprint of a recent article of mine that is not yet in print.
Best wishes,
-Steve Stuart
Department of Chemistry
Clemson University
Clemson, SC 29634
author = "L. X. Dang and D. E. Smith",
title = "Molecular dynamics simulations of aqueous ionic clusters using
polarizable water",
journal = JCP,
volume = "99",
pages = "6950-6956",
year = 1993}
author = "P. Ayotte and C. G. Bailey and G. H. Weddle and M. A.
Johnson",
title = "Vibrational Spectroscopy of Small
{B}r$^{-}$\cdot(H$_{2}$O)$_{n}$
and {I}$^{-}$\cdot(H$_{2}$O)$_{n}$ Clusters: {I}nfrared
Characterization of the Ionic Hydrogen Bond",
journal = JPCA,
volume = "102",
pages = "3067-3071",
year = 1998}
author = "P. Ayotte and G. H. Weddle and J. Kim and J. Kelley and
M. A. Johnson",
title = "A Cluster Study of Anionic Hydration: {S}pectroscopic
Characterization of the {I}$^{-}$\cdot{W}$_{n}$, $1 \le n \le 3$,
Supramolecular Complexes at the Primary Steps of Solvation",
journal = JPCA,
volume = "103",
pages = "443-447",
year = 1999}
author = "M. Arshadi and R. Yamdagni and P. Kebarle",
title = "Hydration of the Halide Negative Ions in the Gas Phase.
{II}. {C}omparison of Hydration Energies for the Alkali
Positive and Halide Negative Ions",
journal = JPC,
volume = "74",
pages = "1475-1482",
year = 1970}
author = "E. Clementi and E. Barsotti",
title = "Study of the Structure of Molecular Complexes.
{C}oordination Numbers for {L}i$^{+}$, {N}a$^{+}$,
{K}$^{+}$, {F}$^{-}$ and {C}l$^{-}$ in Water",
journal = CPL,
volume = "59",
pages = "21--25",
year = 1978}
author = "J. Caldwell and L. X. Dang and P. A. Kollman",
title = "Implementation of Nonadditive Intermolecular Potentials by
Use of Molecular Dynamics: {D}evelopment of a
Water-Water Potential and Water-Ion Cluster
Interactions",
journal = JACS,
volume = "112",
pages = "9144-9147",
year = 1990}
author = "Castleman, Jr., A. W. and R. G. Keesee",
title = "Ionic Clusters",
journal = CR,
volume = "86",
pages = "589-618",
year = 1986}
author = "J.-H. Choi and K. T. Kuwata and Y.-B. Cao and M. Okumura",
title = "Vibrational Spectroscopy of the {C}l$^{-}$(H$_{2}$O)$_{n}$
Anionic
Clusters, $n$ = 1 -- 5",
journal = JPCA,
volume = "102",
pages = "503-507",
year = 1998}
author = "O. M. Cabarcos and C. J. Weinheimer and J. M. Lisy and
S. S. Xantheas",
title = "Microscopic hydration of the fluoride anion",
journal = JCP,
volume = "110",
pages = "5-8",
year = 1999}
author = "O. M. Cabarcos and C. J. Weinheimer and T. J. Martinez and
J. M. Lisy",
title = "The solvation of chloride by methanol --- surface versus
interior
cluster ion states",
journal = JCP,
volume = "110",
pages = "9516-9526",
year = 1999}
author = "P. D. Dacre",
title = "{SCF} potential surfaces and derived models for {N}a$^{+}$
and {C}l$^{-}$ ions interacting with a water molecule",
journal = MP,
volume = "51",
pages = "633--659",
year = 1984}
author = "B. T. Gowda and S. W. Benson",
title = "Energetics and Structure of the Hydrated Gaseous Halide
Anions",
journal = JCC,
volume = "4",
pages = "283--293",
year = 1983}
author = "K. Hiraoka and S. Mizuse",
title = "Gas-phase solvation of {C}l$^{-}$ with {H}$_{2}${O},
{C}{H}$_{3}${O}{H},
{\it i}-{C}$_{3}${H}$_{7}${O}{H}, and {\it
t}-{C}$_{4}${H}$_{9}${O}{H}",
journal = CP,
volume = "118",
pages = "457-466",
year = 1987}
author = "K. Hiraoka and S. Misuze and S. Yamabe",
title = "Solvation of Halide Ions with {H}$_{2}${O} and {CH}$_{3}${CN} in
the Gas Phase",
journal = JPC,
volume = "92",
pages = "3943-3952",
year = 1988}
author = "W. L. Jorgensen and D. L. Severance",
title = "Limited effects of polarization for
{C}l$^{-}$({H}$_{2}${O})$_{n}$ and
{N}a$^{+}$({H}$_{2}${O})$_{n}$ clusters",
journal = JCP,
volume = "99",
pages = "4233--4235",
year = 1993}
author = "R. G. Keesee and Castleman, Jr., A. W.",
title = "Gas-phase studies of hydration complexes of {C}l$^{-}$ and
{I}$^{-}$ and comparison to electrostatic
calculations in the gas phase",
journal = CPL,
volume = "74",
pages = "139-142",
year = 1980}
author = "H. Kistenmacher and H. Popkie and E. Clementi",
title = "Study of the structure of molecular complexes. {V}. {H}eat
of formation for the {L}i$^{+}$, {N}a$^{+}$,
{K}$^{+}$, {F}$^{-}$, and {C}l$^{-}$ ion complexes
with a single water molecule",
journal = JCP,
volume = "59",
pages = "5842-5848",
year = 1973}
author = "H. Kistenmacher and H. Popkie and E. Clementi",
title = "Study of the structure of molecular complexes. {III}.
{E}nergy surface of a water molecule in the field of a
fluorine or chlorine anion",
journal = JCP,
volume = "58",
pages = "5627-5638",
year = 1973}
author = "H. Kistenmacher and H. Popkie and E. Clementi",
title = "Study of the structure of molecular complexes. {VIII}.
{S}mall clusters of water molecules surrounding
{L}i$^{+}$, {N}a$^{+}$, {K}$^{+}$, {F}$^{-}$, and
{C}l$^{-}$ ions",
journal = JCP,
volume = "61",
pages = "799-815",
year = 1974}
author = "M. R. Mruzik and F. F. Abraham and D. E. Schreiber",
title = "A Monte Carlo study of ion-water clusters",
journal = JCP,
volume = "64",
pages = "481-491",
year = 1976}
author = "G. Markovich and S. Pollack and R. Giniger and O.
Cheshnovsky",
title = "Photoelectron spectroscopy of {C}l$^{-}$, {B}r$^{-}$, and
{I}$^{-}$ solvated in water clusters",
journal = JCP,
volume = "101",
pages = "9344-9353",
year = 1994}
author = "L. Perera and M. L. Berkowitz",
title = "Many-body effects in molecular dynamics simulations of
{N}a$^{+}$({H}$_{2}${O})$_{n}$ and
{C}l$^{-}$({H}$_{2}${O})$_{n}$ clusters",
journal = JCP,
volume = "95",
pages = "1954--1963",
year = 1991}
author = "L. Perera and M. L. Berkowitz",
title = "Structure and dynamics of {C}l$^{-}$({H}$_{2}${O})$_{20}$
clusters: \
{T}he effect of the polarizability and the charge of the ion",
journal = JCP,
volume = "96",
pages = "8288-8294",
year = 1992}
author = "L. Perera and M. L. Berkowitz",
title = "Erratum: {M}any-body effects in molecular dynamics
simulations of {N}a$^{+}$({H}$_{2}${O})$_{n}$ and
{C}l$^{-}$({H}$_{2}${O})$_{n}$ clusters
[{J. Chem. Phys.} 95, 1954 (1991)]",
journal = JCP,
volume = "99",
pages = "4236--4237",
year = 1993}
author = "L. Perera and M. L. Berkowitz",
title = "Stabilization energies of {C}l$^{-}$, {B}r$^{-}$, and
{I}$^{-}$ ions in water clusters",
journal = JCP,
volume = "99",
pages = "4222--4224",
year = 1993}
author = "L. Perera and M. Berkowitz",
title = "Structures of {C}l$^{-}$({H}$_{2}${O})$_{n}$ and
{F}$^{-}$({H}$_{2}${O})$_{n}$ ($n = 2,3,\ldots,15$)
clusters. {M}olecular dynamics computer simulations",
journal = JCP,
volume = "100",
pages = "3085--3093",
year = 1994}
author = "I. Rips and J. Jortner",
title = "Ion solvation in clusters",
journal = JCP,
volume = "97",
pages = "536--546",
year = 1992}
author = "K. G. Spears",
title = "Hydration Structures For Halide (-) Ions",
journal = JPC,
volume = "81",
pages = "186",
year = "1976"}
author = "S. J. Stuart and B. J. Berne",
title = "Effects of Polarizability on the Hydration of the Chloride
Ion",
journal = JPC,
volume = "100",
pages = "11934--11943",
year = 1996}
author = "I.-C. Yeh and L. Perera and M. L. Berkowitz",
title = "Photodetachment spectra of {C}l$^{-}({H}$_{2}${O})$_{n}$
clusters.
{P}redictions and comparisons",
journal = CPL,
volume = "264",
pages = "31-38",
year = 1997}
author = "X. G. Zhao and A. {G}onzalez-{L}afont and D. G. Truhlar
and R. Steckler",
title = "Molecular modeling of solvation. {C}l$^{-}$({D}$_{2}${O})",
journal = JCP,
volume = "94",
pages = "5544-5558",
year = 1991}
author = "X. G. Zhao and D.-H. Lu and Y.-P. Liu and G. C. Lynch and
D. G. Truhlar",
title = "Use of an improved ion-solvent potential-energy function to
calculate the reaction rate and {$\alpha$}-deuterium
and microsolvation kinetic isotope effects for the
gas-phase {S}$_{N}$2 reaction of {C}l$^{-}$({H}$_{2}${O})
with {CH}$_{3}${C}l",
journal = JCP,
volume = "97",
pages = "6369",
year = 1992}
-8 at 8- article{ sd94b,
author = "D. E. Smith and L. X. Dang",
title = "Computer simulations of cesium-water clusters: {D}o ion-water
clusters form gas-phase clathrates?",
journal = JCP,
volume = "101",
pages = "7873-7881",
year = 1994}
-8 at 8- article{ drck91,
author = "L. X. Dang and J. E. Rice and J. Caldwell and P. A.
Kollman",
title = "Ion Solvation in Polarizable Water: {M}olecular Dynamics
Simulations",
journal = JACS,
volume = "113",
pages = "2481--2486",
year = 1991}
-8 at 8- article{ cl96,
author = "O. M. Cabarcos and J. M. Lisy",
title = "Solvation of ions in the gas-phase: a molecular dynamics
simulation",
journal = CPL,
volume = "257",
pages = "265-272",
year = 1996}
-8 at 8- article{ ckj94,
author = "J. E. Combariza and N. R. Kestner and J. Jortner",
title = "Energy-structure relationships for microscopic solvation of
anions
in water clusters",
journal = JCP,
volume = "100",
pages = "2851-2864",
year = 1994}
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From: "Dr. Ina Hahndorf" <hahndorf -8 at 8- aca-berlin.de>
To: ep7 -8 at 8- dent.okayama-u.ac.jp
Date: Tue, 27 Jul 1999 10:40:26 +0200
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Subject: ion water clusters
Priority: normal
X-mailer: Pegasus Mail for Win32 (v3.01d)
X-UIDL: >RPe9?\;e9ll;!!(p[d9
Dear M. Masamura,
to get information on protonated water clusters I suggest to have a
look in:
J. Am. Chem. Soc., 120 (1998) 8777
J. Chem. Phys. 107 (1997) 9695
Chem. Phys. Lett. 289 (1998) 373
and references therein.
Yours sincerely
Ina Hahndorf
please notice the new address:
*************************************
Dr. Ina Hahndorf
Institut fuer Angewandte Chemie
Berlin-Adlershof e.V.
Richard-Willstaetter-Str. 12
D-12489 Berlin
Germany
Tel.: ++49-30-6392-4452
FAX: ++49-30-6392-4454
e-mail: hahndorf -8 at 8- aca-berlin.de
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M. Masamura
Department of Preventive Dentistry
Okayama University Dental School
Shikata-cho 2-5-1, Okayama, 700-8525
Japan
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