Nm. Sergeyev et al., THE H-1-H-2, O-17-H-1 COUPLING-CONSTANTS AND THE O-16 O-18 INDUCED PROTON ISOTOPE SHIFT IN WATER/, Chemical physics letters, 277(1-3), 1997, pp. 142-146
At very low concentration in nitromethane the coupling constants J(H,D
) and J(O-17,H) of the water molecule at 353 K are found to be 1.091(/-0.005) and 80.6(+/-0.1) Hz, respectively. The high accuracy was achi
eved by lineshape analysis using the QUADR program for the proton reso
nance and temperature variation for the O-17-resonance. Measurements o
f the proton isotope shift due to O-16/O-18 substitution reveal no not
iceable shift in contradiction to an early reported detection by other
s. (C) 1997 Elsevier Science B.V.