Structures and dynamics of phenol clusters in benzene solutions

Chaiwongwattana, Sermsiri; Sagarik, Kritsana

doi:10.1016/j.chemphys.2008.11.018

Cited by 1 publication

(2 citation statements)

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“…Aromatic compounds, as well as alkenes and alkynes, can act as π-bases where electron density from the π-electron system is donated to nearby acidic protons. These structures form T-shaped complexes with the OH bond vector pointing toward the center of the ring, toward a specific carbon or between two carbons. − When the hydrogen bond is formed, the OD stretch is red-shifted from its non-hydrogen bonded value of 2664 cm −1 in CCl 4 . The isotopically substituted phenol is used to shift the frequency into an empty part of the spectrum to avoid interference with the vibrational transitions of the solvent.…”

Section: Introductionmentioning

confidence: 99%

“…These structures form T-shaped complexes with the OH bond vector pointing toward the center of the ring, toward a specific carbon or between two carbons. [16][17][18] When the hydrogen bond is formed, the OD stretch is red-shifted from its non-hydrogen bonded value of 2664 cm -1 in CCl 4 . The isotopically substituted phenol is used to shift the frequency into an empty part of the spectrum to avoid interference with the vibrational transitions of the solvent.…”

Section: Introductionmentioning

confidence: 99%

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Solvent Control of the Soft Angular Potential in Hydroxyl−π Hydrogen Bonds: Inertial Orientational Dynamics

Gengeliczki

Fayer

2009

J. Phys. Chem. B

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Ultrafast polarization and wavelength selective IR pump-probe spectroscopy is used to measure the inertial and long time orientational dynamics of π-hydrogen bonding complexes. Inertial orientational relaxation is sensitive to the angular potential associated with the hydrogen bond. The complexes studied are composed of phenol-OD (hydroxyl hydrogen replaced by deuterium) and various π-base solvents with different electron donating or withdrawing substituents (chlorobenzene, bromobenzene, benzene, toluene, p-xylene, mesitylene, 1-pentyne). The different substituents provide experimental control of the hydrogen bond strength. The inertial orientational relaxation of the complexes, measured at the center frequency of each line, is independent of the hydrogen bond strength, demonstrating the insensitivity of the OD inertial dynamics, and therefore the H-bond angular potential, to the hydrogen bond strength. OD stretch absorption bands are inhomogeneously broadened through interactions with the solvent. The hydrogen bonding complexes all have similar wavelength dependent inertial orientational relaxation across their inhomogeneously broadened OD stretch absorption lines. The wavelength dependence of the inertial reorientation across each line arises because of a correlation between local solvent structure and the angular potential. These two results imply that local solvent structure acts as the controlling influence in determining the extent of inertial orientational relaxation, and therefore the angular potential, and that variation in the π-hydrogen bond strength is of secondary importance.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%