Temperature Dependence of Isotopic Quantum Effects in Water

摘要: The technique of high energy x-ray diffraction has been used to measure the temperature variation hydrogen versus deuterium isotopic quantum effects on structure water. magnitude effect is found be inversely proportional temperature, varying by a factor 2.5 over range 6 45 \ifmmode^\circ\else\textdegree\fi{}C. In addition, ${\mathrm{H}}_{2}^{16}\mathrm{O}$ ${\mathrm{H}}_{2}^{18}\mathrm{O}$ measured at 26 \ifmmode^\circ\else\textdegree\fi{}C and structural difference shown restricted nearest neighbor molecular interactions. results are compared recent simulations previously isochoric differentials; additionally, implications for $\mathrm{H}/\mathrm{D}$ substitution experiments considered.