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.
 *************************************************
 X-Sender: ss -8 at 8- mail.clemson.edu
 Content-Type: text/plain; charset="us-ascii"
 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}
 ********************************************************
 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
 Content-type: text/plain; charset=US-ASCII
 Content-transfer-encoding: 7BIT
 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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