The infrared spectra of water dimers formed from H2O, D2O, and HDO in krypton matrices have been recorded. Thermal equilibria between H‐ and D‐bonded dimers have been studied. D bonding is preferred, and H‐bonded dimers are approximately 60 cm−1 less stable than D‐bonded dimers. The energy difference seems to be due to the higher value of the intermolecular out‐of‐plane H‐bond shear vibration compared to the corresponding D‐bond vibration.
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