Article ID Journal Published Year Pages File Type
1404692 Journal of Molecular Structure 2006 8 Pages PDF
Abstract
Very short hydrogen bonds universally show large positive dependences of the deuterium NMR quadrupolar coupling constant with temperature. We present temperature dependent NMR data for eight such systems, with O⋯O distances of between 238 and 250 pm, and show we can model the temperature dependences by density functional methods, as long as proper attention is paid to intermolecular effects and intermode couplings.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Authors
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