Two-state theory of the structure of D2O

C. M. Davis, David Bradley

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The two-state approach to the structure of water is applied to D 2O. Over the temperature range 4° to 100°C, the molar volume of both the close and open-packed structures is estimated to be approximately the same in D2O as in H2O. The enthalpy difference between the two structures is found to be -2915 cal/mole in D2O compared to -2547 cal/mole in H2O, indicating an increase in the hydrogen-bond strength of D2O compared to that of H2O. Estimates of the relaxational thermodynamic parameters of D2O are obtained. Only those which depend on the enthalpy difference exhibit an appreciable change from the corresponding parameters in H2O.

Original languageEnglish (US)
Pages (from-to)2461-2465
Number of pages5
JournalThe Journal of Chemical Physics
Volume45
Issue number7
DOIs
StatePublished - Jan 1 1966

Fingerprint

Enthalpy
enthalpy
Density (specific gravity)
Hydrogen bonds
Thermodynamics
hydrogen bonds
thermodynamics
Water
estimates
water
Temperature
temperature

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Davis, C. M. ; Bradley, David. / Two-state theory of the structure of D2O. In: The Journal of Chemical Physics. 1966 ; Vol. 45, No. 7. pp. 2461-2465.
@article{9e5bb55bbfb4472eaf6d325f198984f4,
title = "Two-state theory of the structure of D2O",
abstract = "The two-state approach to the structure of water is applied to D 2O. Over the temperature range 4° to 100°C, the molar volume of both the close and open-packed structures is estimated to be approximately the same in D2O as in H2O. The enthalpy difference between the two structures is found to be -2915 cal/mole in D2O compared to -2547 cal/mole in H2O, indicating an increase in the hydrogen-bond strength of D2O compared to that of H2O. Estimates of the relaxational thermodynamic parameters of D2O are obtained. Only those which depend on the enthalpy difference exhibit an appreciable change from the corresponding parameters in H2O.",
author = "Davis, {C. M.} and David Bradley",
year = "1966",
month = "1",
day = "1",
doi = "10.1063/1.1727961",
language = "English (US)",
volume = "45",
pages = "2461--2465",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "7",

}

Two-state theory of the structure of D2O. / Davis, C. M.; Bradley, David.

In: The Journal of Chemical Physics, Vol. 45, No. 7, 01.01.1966, p. 2461-2465.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Two-state theory of the structure of D2O

AU - Davis, C. M.

AU - Bradley, David

PY - 1966/1/1

Y1 - 1966/1/1

N2 - The two-state approach to the structure of water is applied to D 2O. Over the temperature range 4° to 100°C, the molar volume of both the close and open-packed structures is estimated to be approximately the same in D2O as in H2O. The enthalpy difference between the two structures is found to be -2915 cal/mole in D2O compared to -2547 cal/mole in H2O, indicating an increase in the hydrogen-bond strength of D2O compared to that of H2O. Estimates of the relaxational thermodynamic parameters of D2O are obtained. Only those which depend on the enthalpy difference exhibit an appreciable change from the corresponding parameters in H2O.

AB - The two-state approach to the structure of water is applied to D 2O. Over the temperature range 4° to 100°C, the molar volume of both the close and open-packed structures is estimated to be approximately the same in D2O as in H2O. The enthalpy difference between the two structures is found to be -2915 cal/mole in D2O compared to -2547 cal/mole in H2O, indicating an increase in the hydrogen-bond strength of D2O compared to that of H2O. Estimates of the relaxational thermodynamic parameters of D2O are obtained. Only those which depend on the enthalpy difference exhibit an appreciable change from the corresponding parameters in H2O.

UR - http://www.scopus.com/inward/record.url?scp=36849103248&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=36849103248&partnerID=8YFLogxK

U2 - 10.1063/1.1727961

DO - 10.1063/1.1727961

M3 - Article

AN - SCOPUS:36849103248

VL - 45

SP - 2461

EP - 2465

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 7

ER -