Second derivative and band simulation techniques are used in a synergetic relationship to identify components in the infrared (IR) spectra of liquid light and heavy water. Nine Gaussian components are retrieved in massive OH and OD stretch absorption. In this context, v1 and v3 are the principal components along with satellites derived from harmonic and combination bands. The Raman spectrum of light water matches the IR components with intensity variations as expected.
MaxJ.-J.ChapadosC.. “Determination of Spectroscopic Band Shapes by Second Derivatives. Part I. Theory”. Appl. Spectrosc.2014. 69(3): 348–362.
2.
MaxJ.-J.ChapadosC.. “Isotope Effects in Liquid Water by Infrared Spectroscopy”. J. Chem. Phys.2002. 116: 4626–4642.
3.
SavitzkyA.GolayM.J.E.. “Smoothing and Differentiation of Data by Simplified Least Squares Procedures”. Anal. Chem.1964. 36: 1627–1639.
4.
BernalJ.D.. “The Bakerian Lecture, 1962. The Structure of Liquids”. Proc. R. Soc. London Ser. A.1964. 280: 299–322.
5.
BernalJ.D.. “Structure of Water”, In: Proceedings of the First International Symposium on Water Desalination. Washington, DC: October 3-9, 1967. Pp. 371–381.
6.
MaréchalY.. The Hydrogen Bond and the Water Molecule: The Physics and Chemistry of Water, Aqueous, and Bio-Media. Amsterdam: Elsevier, 2007.
ChapmanR.M.ShawJ.H.. “Fine Structure of HDO Near 3.7 μ in the Solar Spectrum”. Phys. Rev.1950. 78: 71–72.
9.
WallT.T.HornigD.F.. “Raman Intensities of HDO and Structure in Liquid Water”. J. Chem. Phys.1965. 43: 2079–2087.
10.
KeutschF.N.SaykallyR.J.. “Water Clusters: Untangling the Mysteries of the Liquid, One Molecule at a Time”. Proc. Natl. Acad. Sci. U.S.A.2001. 98: 10533–10540.
11.
MaxJ.-J.ChapadosC.. Isotope Effects in Liquid Water by Infrared Spectroscopy. III. H2O and D2O Spectra from 6000 to 0 cm−1. J. Chem. Phys.2009. 131: 184505 (13 pp).
12.
Le CaërS.PinS.EsnoufS.RaffyQ.RenaultJ.P.BrubachJ.B.CreffG.RoyP.. “A Trapped Water Network in Nanoporous Material: The Role of Interfaces”. Phys. Chem. Chem. Phys.2011. 13: 17658–17666.
13.
CrupiV.LongoF.MajolinoD.VenutiV.. “T Dependence of Vibrational Dynamics of Water in Ion-Exchanged Zeolites A: A Detailed Fourier Transform Infrared Attenuated Total Reflection Study”. J. Chem. Phys.2005. 123: 154702 (11 pp).
14.
ZhangC.DonadioD.GalliG.. “First-Principle Analysis of the IR Stretching Band of Liquid Water”. J. Phys. Chem. Lett.2010. 1: 1398–1402.
15.
CareyD.M.KorenowskiG.M.. “Measurement of the Raman Spectrum of Liquid Water”. J. Chem. Phys.1998. 108: 2669–2675.
16.
ChumaevskiiN.A.RodnikovaM.N.SirotkinD.A.. “Raman Spectra of Light and Heavy Water in the O-H and O-D Stretching Vibrations Region”. J. Mol. Liq.1999. 82: 39–46.
17.
HuQ.LüX.LuW.ChenY.LiuH.. “An Extensive Study on Raman Spectra of Water from 253 to 753 K at 30 MPa: A New Insight into Structure of Water”. J. Mol. Spectrosc.2013. 292: 23–27.
18.
AuerB.M.SkinnerJ.L.. “Water: Hydrogen Bonding and Vibrational Spectroscopy, in the Bulk Liquid and at the Liquid/Vapor Interface”. Chem. Phys. Lett.2009. 470: 13–20.
19.
MaxJ.-J.ChapadosC.. “Isotope Effects in Liquid Water by Infrared Spectroscopy. IV. No Free OH in Liquid Water”. J. Chem. Phys.2010. 133: 164509 (8 pp).
20.
SmiechowskiM.StangretJ.. “Vibrational Spectroscopy of Semi-heavy Water (HDO) as a Probe of Solute Hydration”. Pure Appl. Chem.2010. 82: 1869–1887.
21.
LaroucheP.MaxJ.-J.ChapadosC.. “Isotope Effects in Liquid Water by Infrared Spectroscopy. II. Factor Analysis of the Temperature Effect on H2O and D2O”. J. Chem. Phys.2008. 129: 064503 (13 pp).
22.
WalrafenG.E.HokmabadiM.S.YangW.-H.. “Raman Isosbestic Points from Liquid Water”. J. Chem. Phys.1986. 85: 6964–6969.
23.
AuerB.M.SkinnerJ.L.. “IR and Raman Spectra of Liquid Water: Theory and Interpretation”. J. Chem. Phys.2008. 128: 224511.
24.
YangM.SkinnerJ.L.. “Signatures of Coherent Vibrational Energy Transfer in IR and Raman Line Shapes for Liquid Water”. Phys. Chem. Chem. Phys.2010. 12: 982–991.
25.
MaxJ.-J.ChapadosC.. “Isotope Effects in Liquid Water by Infrared Spectroscopy. V. A Sea of OH4 of C2v Symmetry”. J. Chem. Phys.2011. 134: 164502 (17 pp).