Spectrum and infrared intensities of OH-stretching bands of water dimers.

Water dimers have been assembled in He droplets and studied by infrared laser depletion spectroscopy. All four OH stretching bands of the dimer have been identified in the spectral range 3590-3800 cm(-1). Infrared intensities of the bands are also reported. The results are compared with previous measurements and theoretical calculations.

[1]  R. van Harrevelt,et al.  Vibration-rotation-tunneling levels of the water dimer from an ab initio potential surface with flexible monomers. , 2009, The journal of physical chemistry. A.

[2]  Joel M Bowman,et al.  Full-dimensional, ab initio potential energy and dipole moment surfaces for water. , 2009, The Journal of chemical physics.

[3]  H. Kjaergaard,et al.  Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes. , 2009, The Journal of chemical physics.

[4]  Joel M. Bowman,et al.  Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer. , 2009, The Journal of chemical physics.

[5]  R. van Harrevelt,et al.  An accurate analytic representation of the water pair potential. , 2008, Physical chemistry chemical physics : PCCP.

[6]  H. Kjaergaard,et al.  Calculated band profiles of the OH-stretching transitions in water dimer. , 2008, The journal of physical chemistry. A.

[7]  H. Kjaergaard,et al.  Calculation of the O-H stretching vibrational overtone spectrum of the water dimer. , 2008, The journal of physical chemistry. A.

[8]  Devin A Matthews,et al.  Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches. , 2008, The journal of physical chemistry. A.

[9]  P. Uvdal,et al.  Far-infrared band strengths in the water dimer: experiments and calculations. , 2008, The journal of physical chemistry. A.

[10]  G. Groenenboom,et al.  Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water. , 2008, The Journal of chemical physics.

[11]  G. Groenenboom,et al.  Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface. , 2008, The Journal of chemical physics.

[12]  A. Vilesov,et al.  Interchange-tunneling splitting in HCl dimer in helium nanodroplets. , 2008, The Journal of chemical physics.

[13]  B. Braams,et al.  New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2. , 2008, The Journal of chemical physics.

[14]  I. V. Ptashnik,et al.  Pure water vapor continuum measurements between 3100 and 4400 cm−1: Evidence for water dimer absorption in near atmospheric conditions , 2007 .

[15]  Krzysztof Szalewicz,et al.  Predictions of the Properties of Water from First Principles , 2007, Science.

[16]  H. Kjaergaard,et al.  Hydrogen bonded OH-stretching vibration in the water dimer. , 2007, The journal of physical chemistry. A.

[17]  M. Slipchenko,et al.  Spectra of the ν1 and ν3 bands of water molecules in helium droplets , 2006 .

[18]  G. Groenenboom,et al.  Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers. , 2006, The Journal of chemical physics.

[19]  M. Slipchenko,et al.  Infrared intensity in small ammonia and water clusters. , 2006, The Journal of chemical physics.

[20]  C. M. Lindsay,et al.  Rotational and vibrational dynamics of H2O and HDO in helium nanodroplets , 2006 .

[21]  B. Braams,et al.  Ab initio potential energy and dipole moment surfaces of (H2O)2. , 2006, The journal of physical chemistry. A.

[22]  M. Slipchenko,et al.  Spectra of NH3 in He droplets in the 3 μm range , 2005 .

[23]  Nobuyuki Akai,et al.  The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory. , 2005, Physical chemistry chemical physics : PCCP.

[24]  M. Ziemkiewicz,et al.  Overtone spectroscopy of H2O clusters in the V(OH) = 2 manifold: infrared-ultraviolet vibrationally mediated dissociation studies. , 2005, The Journal of chemical physics.

[25]  D. Newnham,et al.  Laboratory measurements of water vapour continuum absorption in spectral region 5000–5600 cm−1: Evidence for water dimers , 2004 .

[26]  J. P. Perchard,et al.  The vibrational spectrum of the water trimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 11,000 and 90 cm−1 , 2004 .

[27]  B. Nelander,et al.  Water dimer in solid neon. Far-infrared spectrum , 2004 .

[28]  J. Toennies,et al.  Superfluid helium droplets: a uniquely cold nanomatrix for molecules and molecular complexes. , 2004, Angewandte Chemie.

[29]  R. Saykally,et al.  Water Dimers in the Atmosphere II: Results from the VRT(ASP-W)III Potential Surface , 2004 .

[30]  F. Keutsch,et al.  Complete characterization of the water dimer vibrational ground state and testing the VRT(ASP-W)III, SAPT-5st, and VRT(MCY-5f) surfaces , 2003 .

[31]  Heather A. Harker,et al.  Water dimer hydrogen bond stretch, donor torsion overtone, and “in-plane bend” vibrations , 2003 .

[32]  D. Howard,et al.  Complexes of Importance to the Absorption of Solar Radiation , 2003 .

[33]  H. Kjaergaard,et al.  Calculated OH-stretching and HOH-bending vibrational transitions in the water dimer , 2003 .

[34]  G. R. Low,et al.  Calculated OH-Stretching Vibrational Transitions in the Water-Nitrogen and Water-Oxygen Complexes , 2002 .

[35]  Mark A. Miller,et al.  The formation of cyclic water complexes by sequential ring insertion: Experiment and theory , 2002 .

[36]  C. J. Keoshian,et al.  Spectroscopic determination of the water dimer intermolecular potential-energy surface , 2002 .

[37]  Matthew L. Leininger,et al.  Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses , 2002 .

[38]  Roger E. Miller,et al.  Rotational and vibrational dynamics of methane in helium nanodroplets , 2001 .

[39]  J. Perchard.  Anharmonicity and hydrogen bonding. III. Analysis of the near infrared spectrum of water trapped in argon matrix , 2001 .

[40]  Adrian F. Tuck,et al.  Atmospheric absorption of near infrared and visible solar radiation by the hydrogen bonded water dimer , 2001 .

[41]  Roger E. Miller,et al.  The hydrogen fluoride dimer in liquid helium: A prototype system for studying solvent effects on hydrogen bonding , 2000 .

[42]  Roger E. Miller,et al.  Metastable vibrationally excited HF (v=1) in helium nanodroplets , 2000 .

[43]  F. Huisken,et al.  Infrared spectroscopy of size-selected water and methanol clusters. , 2000, Chemical reviews.

[44]  Kai Liu,et al.  Terahertz laser spectroscopy of the water dimer intermolecular vibrations. II. (H2O)2 , 2000 .

[45]  G. Chaban,et al.  Anharmonic Vibrational Spectroscopy of Hydrogen-Bonded Systems Directly Computed from ab Initio Potential Surfaces: (H2O)n, n = 2, 3; Cl-(H2O)n, n = 1, 2; H+(H2O)n, n = 1, 2; H2O−CH3OH , 2000 .

[46]  M. Havenith,et al.  The rotational spectrum of single OCS molecules in liquid 4He droplets , 2000 .

[47]  Nauta,et al.  Formation of cyclic water hexamer in liquid helium: the smallest piece of Ice , 2000, Science.

[48]  A. Iogansen.  Direct proportionality of the hydrogen bonding energy and the intensification of the stretching ν(XH) vibration in infrared spectra , 1999 .

[49]  R. Saykally,et al.  Spectroscopic determination of the water pair potential. , 1999, Science.

[50]  G. R. Low,et al.  Calculation of OH-stretching band intensities of the water dimer and trimer , 1999 .

[51]  J. B. Paul,et al.  Infrared Cavity Ringdown Spectroscopy of the Water Cluster Bending Vibrations , 1999 .

[52]  J. B. Paul,et al.  Infrared cavity ringdown spectroscopy of water clusters: O–D stretching bands , 1998 .

[53]  Toth,et al.  Water Vapor Measurements between 590 and 2582 cm-1: Line Positions and Strengths. , 1998, Journal of molecular spectroscopy.

[54]  J. B. Paul,et al.  Characterization of the (D2O)2 Hydrogen-Bond-Acceptor Antisymmetric Stretch by IR Cavity Ringdown Laser Absorption Spectroscopy , 1998 .

[55]  J. B. Paul,et al.  Direct Measurement of Water Cluster Concentrations by Infrared Cavity Ringdown Laser Absorption Spectroscopy , 1997 .

[56]  M. Kaloudis,et al.  Vibrational spectroscopy of small water complexes embedded in large liquid helium clusters , 1996 .

[57]  Hartmann,et al.  Rotationally Resolved Spectroscopy of SF6 in Liquid Helium Clusters: A Molecular Probe of Cluster Temperature. , 1995, Physical review letters.

[58]  Sotiris S. Xantheas,et al.  Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions , 1994 .

[59]  Sotiris S. Xantheas,et al.  Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra , 1993 .

[60]  Byung Jin Mhin,et al.  Ab initio studies of the water dimer using large basis sets: The structure and thermodynamic energies , 1992 .

[61]  Z. Huang,et al.  High‐resolution near‐infrared spectroscopy of water dimer , 1989 .

[62]  M. K. Ahmed,et al.  Infrared intensities of liquids. 5. Optical and dielectric constants, integrated intensities, and dipole moment derivatives of water and water-d2 at 22.degree.C , 1989 .

[63]  T. R. Dyke,et al.  Partially deuterated water dimers: Microwave spectra and structure , 1980 .

[64]  John S. Muenter,et al.  THE STRUCTURE OF WATER DIMER FROM MOLECULAR BEAM ELECTRIC RESONANCE SPECTROSCOPY: PARTIALLY DEUTERATED DIMERS , 1977 .

[65]  T. R. Dyke,et al.  Group theoretical classification of the tunneling–rotational energy levels of water dimer , 1977 .

[66]  John S. Muenter,et al.  Electric dipole moments of low J states of H2O and D2O , 1973 .

[67]  Laurence S. Rothman,et al.  Dipole moment of water from Stark measurements of H2O, HDO, and D2O , 1973 .

[68]  D. Wales,et al.  An ab initio study of tunneling splittings in the water trimer. , 2005, The Journal of chemical physics.

[69]  Axel Kulcke,et al.  Infrared spectroscopy of small size‐selected water clusters , 1996 .

[70]  Roger Hayward,et al.  The Hydrogen Bond , 1960 .