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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 78, 1993 - Issue 5
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Original Articles

Microwave spectrum of the Ka = 1 ← 0 rotation-tunnelling band of (D2O)2

E.N. Karyakin Molecular Spectroscopy Laboratory, Applied Physics Institute, Nizhnii Novgorod, Russia
,
G.T. Fraser Molecular Physics Division, National Institute of Standards and Technology, Gaithersburg, MD, 20899, USA
&
R.D. Suenram Molecular Physics Division, National Institute of Standards and Technology, Gaithersburg, MD, 20899, USA
Pages 1179-1189 | Received 01 Sep 1992, Accepted 07 Sep 1992, Published online: 22 Aug 2006

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H. A. Harker, F. N. Keutsch, C. Leforestier, Y. Scribano, J.-X. Han & R. J. Saykally. (2007) Toward a precise determination of the acceptor switching splitting in the water dimer. Molecular Physics 105:5-7, pages 497-512.
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FRANKN. KEUTSCH, NIR GOLDMAN, HEATHERA. HARKER, CLAUDE LEFORESTIER & RICHARDJ. SAYKALLY. (2003) Complete characterization of the water dimer vibrational ground state and testing the VRT(ASP-W)III, SAPT-5st, and VRT(MCY-5f) surfaces. Molecular Physics 101:23-24, pages 3477-3492.
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RichardJ. Wheatley. (1996) The solvation of sodium ions in water clusters: intermolecular potentials for Na+-H2O and H2O-H2O. Molecular Physics 87:5, pages 1083-1116.
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Articles from other publishers (37)

A. J. Barclay, A. R. W. McKellar & N. Moazzen-Ahmadi. (2024) Spectra of the D2O dimer in the O–D fundamental stretch region: The acceptor symmetric stretch fundamental and new combination bands. The Journal of Chemical Physics 160:11.
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A. Das & E. Arunan. (2022) Measurement of Donor-Acceptor Interchange Tunnelling in Ar(H2O)2 using Rotational Spectroscopy and a Re-look at Its Structure and Bonding. Journal of Molecular Structure 1252, pages 132094.
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Marko T. Cvitaš & Jeremy O. Richardson. 2021. Molecular Spectroscopy and Quantum Dynamics. Molecular Spectroscopy and Quantum Dynamics 301 326 .
Mihael Eraković & Marko T. Cvitaš. (2020) Tunneling splittings of vibrationally excited states using general instanton paths. The Journal of Chemical Physics 153:13.
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A. J. Barclay, A. R. W. McKellar & N. Moazzen-Ahmadi. (2019) Spectra of the D2O dimer in the O–D fundamental stretch region: Vibrational dependence of tunneling splittings and lifetimes. The Journal of Chemical Physics 150:16.
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Jacob T. Stewart & Benjamin J. McCall. (2013) Rotationally-Resolved Spectroscopy of the Donor Bending Mode of (D 2 O) 2 . The Journal of Physical Chemistry A 117:50, pages 13491-13499.
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Claude Leforestier, Krzysztof Szalewicz & Ad van der Avoird. (2012) Spectra of water dimer from a new ab initio potential with flexible monomers . The Journal of Chemical Physics 137:1.
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Claude Leforestier. (2012) Infrared shifts of the water dimer from the fully flexible ab initio HBB2 potential . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 370:1968, pages 2675-2690.
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Jeremy O. Richardson, Stuart C. Althorpe & David J. Wales. (2011) Instanton calculations of tunneling splittings for water dimer and trimer. The Journal of Chemical Physics 135:12.
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Keiichi Tanaka, Kensuke Harada & Koichi M.T. Yamada. 2011. Handbook of High‐resolution Spectroscopy. Handbook of High‐resolution Spectroscopy.
Ross E.A. Kelly, Jonathan Tennyson, Gerrit C. Groenenboom & Ad van der Avoird. (2010) Water dimer vibration–rotation tunnelling levels from vibrationally averaged monomer wavefunctions. Journal of Quantitative Spectroscopy and Radiative Transfer 111:9, pages 1262-1276.
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Claude Leforestier, Rob van Harrevelt & Ad van der Avoird. (2009) Vibration−Rotation−Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers. The Journal of Physical Chemistry A 113:44, pages 12285-12294.
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Krzysztof Szalewicz, Claude Leforestier & Ad van der Avoird. (2009) Towards the complete understanding of water by a first-principles computational approach. Chemical Physics Letters 482:1-3, pages 1-14.
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Robert Bukowski, Krzysztof Szalewicz, Gerrit C. Groenenboom & Ad van der Avoird. (2008) Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water. The Journal of Chemical Physics 128:9.
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Robert Bukowski, Krzysztof Szalewicz, Gerrit C. Groenenboom & Ad van der Avoird. (2008) Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface. The Journal of Chemical Physics 128:9.
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X. Huang, Bastiaan J. Braams, Joel M. Bowman, Ross E. A. Kelly, Jonathan Tennyson, Gerrit C. Groenenboom & Ad van der Avoird. (2008) New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2 . The Journal of Chemical Physics 128:3.
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Ad van der Avoird & Krzysztof Szalewicz. (2008) Water trimer torsional spectrum from accurate ab initio and semiempirical potentials . The Journal of Chemical Physics 128:1.
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Wojciech Cencek, Krzysztof Szalewicz, Claude Leforestier, Rob van Harrevelt & Ad van der Avoird. (2008) An accurate analytic representation of the water pair potential. Physical Chemistry Chemical Physics 10:32, pages 4716.
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A.L. McIntosh, Z. Wang, R.R. Lucchese & J.W. Bevan. (2004) High frequency wavelength modulation cw slit jet diode laser spectrometer for characterizing ground state intermolecular hydrogen bonded vibrations. Infrared Physics & Technology 45:4, pages 301-314.
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N. Goldman, R. S. Fellers, M. G. Brown, L. B. Braly, C. J. Keoshian, C. Leforestier & R. J. Saykally. (2002) Spectroscopic determination of the water dimer intermolecular potential-energy surface. The Journal of Chemical Physics 116:23, pages 10148-10163.
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E. Arunan, T. Emilsson & H. S. Gutowsky. (2002) Rotational spectra, structures, and dynamics of small Arm–(H2O)n clusters: The Ar–(H2O)2 trimer. The Journal of Chemical Physics 116:12, pages 4886-4895.
Crossref
Michael J. Smit, Gerrit C. Groenenboom, Paul E. S. Wormer, Ad van der Avoird, Robert Bukowski & Krzysztof Szalewicz. (2001) Vibrations, Tunneling, and Transition Dipole Moments in the Water Dimer. The Journal of Physical Chemistry A 105:25, pages 6212-6225.
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Paul E. S. Wormer & Ad van der Avoird. (2000) Intermolecular Potentials, Internal Motions, and Spectra of van der Waals and Hydrogen-Bonded Complexes. Chemical Reviews 100:11, pages 4109-4144.
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G. C. Groenenboom, P. E. S. Wormer, A. van der Avoird, E. M. Mas, R. Bukowski & K. Szalewicz. (2000) Water pair potential of near spectroscopic accuracy. II. Vibration–rotation–tunneling levels of the water dimer. The Journal of Chemical Physics 113:16, pages 6702-6715.
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J. Demaison, J. Vogt & G. Wlodarczak. 2000. Rotational Constants of Diamagnetic Asymmetric Top Molecules. Rotational Constants of Diamagnetic Asymmetric Top Molecules 508 525 .
J. Demaison, J. Vogt & G. Wlodarczak. 2000. Rotational Constants of Diamagnetic Asymmetric Top Molecules. Rotational Constants of Diamagnetic Asymmetric Top Molecules 1 103 .
R. S. FellersC. LeforestierL. B. BralyM. G. BrownR. J. Saykally. (1999) Spectroscopic Determination of the Water Pair Potential. Science 284:5416, pages 945-948.
Crossref
R. S. Fellers, L. B. Braly, R. J. Saykally & C. Leforestier. (1999) Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials. The Journal of Chemical Physics 110:13, pages 6306-6318.
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J. B. Paul, R. A. Provencal & R. J. Saykally. (1998) Characterization of the (D 2 O) 2 Hydrogen-Bond-Acceptor Antisymmetric Stretch by IR Cavity Ringdown Laser Absorption Spectroscopy . The Journal of Physical Chemistry A 102:19, pages 3279-3283.
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Jonathon K. Gregory & David C. Clary. 1998. Molecular Clusters. Molecular Clusters 311 363 .
Claude Leforestier, Linda B. Braly, Kun Liu, Matthew J. Elrod & Richard J. Saykally. (1997) Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with a split Wigner pseudo spectral approach. The Journal of Chemical Physics 106:20, pages 8527-8544.
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A.F. Krupnov. (1996) Present state of submillimeterwave spectroscopy at the Nizhnii Novgorod Laboratory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 52:8, pages 967-993.
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Jonathon K. Gregory & David C. Clary. (1995) Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo. The Journal of Chemical Physics 102:20, pages 7817-7829.
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S. C. Althorpe & D. C. Clary. (1995) A new method for calculating the rovibrational states of polyatomics with application to water dimer. The Journal of Chemical Physics 102:11, pages 4390-4399.
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E. N. Karyakin, G. T. Fraser, F. J. Lovas, R. D. Suenram & M. Fujitake. (1995) Donor–acceptor interchange tunneling in HDO–DOH and the higher energy HDO–HOD isotopomer. The Journal of Chemical Physics 102:3, pages 1114-1121.
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A. F. Krupnov & O. P. Pavlovsky. (1994) Commercial frequency synthesizer of 118 GHz-178 GHz range. International Journal of Infrared and Millimeter Waves 15:10, pages 1611-1624.
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S. C. Althorpe & D. C. Clary. (1994) Calculation of the intermolecular bound states for water dimer. The Journal of Chemical Physics 101:5, pages 3603-3609.
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