Charge distribution from infrared intensities: Charges on hydrogen atoms and hydrogen bond
- 15 February 1984
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (4) , 1377-1381
- https://doi.org/10.1063/1.446885
Abstract
It is known that from infrared intensities it is possible to derive atomic charges and charge fluxes. The intensity parameters of hydrogen atoms which are able to form hydrogen bonds are calculated in this work and compared with those of other hydrogen atoms not showing the same property; they are found to be different. From gas phase infrared intensity measurements one can then determine whether a given hydrogen atom is capable of forminghydrogen bond.Keywords
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