The shortest symmetrical O-H...O hydrogen bond has a low-barrier double-well potential

Article Abstract:

The comprehensive crystallographic, NMR and spectroscopic data reveals a united and a self-consistent picture of a symmetrical molecule with a low-barrier hydrogen-bond. The temperature dependence of the NMR properties confirms the existence of a thermally accessible vibrationally excited state for the bond and as other short hydrogen bonds show similar NMR behavior, it is likely the no 'strong' hydrogen bond of this sort has yet been discovered.

Hydrogen bonding, Hydrogen bonds, Nuclear magnetic resonance, Chemistry, Physical and theoretical, Physical chemistry, Molecules

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Molecular hydrogen occupancy in binary THF-H2 clathrate hydrates by high resolution neutron diffraction

Article Abstract:

The time-space average filling of hydrogen molecules in a binary tetrahydrofuran (THF)-d8 + D2 sII clathrate hydrate is determined using high resolution neutron diffraction. The hydrogen molecules are localized in the small dodecahedral cavities at 20 K, with nuclear density from the hydrogen approximately spherically distributed and centered in the small cavity.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Tetrahydrofuran, Neutrons, Stoichiometry, Properties

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Neutron and X-ray diffraction, inelastic neutron scattering, and solid-state (super 13)C NMR investigations of polymorphic p-chlorophenylformamide: absence of proton transfer along the intermolecular N-H-O hydrogen bond

Article Abstract:

Neutron and X-ray crystal structures of p-chlorophenylformamide (ClC6H4NHCHO, 1) are determined after recrystallization from methanol and acetone solvents. All structures reveal that the formamide group is essentially coplanar with the chlorophenyl ring.

All Other Basic Organic Chemical Manufacturing, Methanol, Methods, X-ray diffraction, Crystallization, Chemical properties

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