Fourier transform infrared spectrometric study of the interaction between hexa-2,4-dienylideneisopropylamine and 3-phenylprop-2-enylideneisopropylamine with model proton donors Part II. Isotopic ratio OH/OD and 1500-800 cm−1 spectral range

Migchels, P.; Zeegers‐Huyskens, Th.

doi:10.1016/0924-2031(91)85014-e

Cited by 3 publications

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“…This behavior is typical of a Fermi resonance, in the present case between the ν(OD···N) and the first overtone of the δ(OD···N) levels. A similar pattern was observed for the v(OD) vibrations of Shiff bases complexed with phenols where A i are the intensities of the absorptions and ν i their frequencies.…”

Section: Resultssupporting

confidence: 74%

FT-IR (7500−1800 cm^-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

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Zeegers‐Huyskens

1997

J. Phys. Chem. A

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The FT-IR spectra (7500-1800 cm -1 ) of phenol-OH(OD)‚pyridine complexes are investigated at 25 °C in carbon tetrachloride. The pK a of the phenols range from 10.2 to 6, and no proton transfer occurs in the fundamental and first excited vibrational state. The anharmonicities of the ν(OH‚‚‚N) and ν(OD‚‚‚N) vibrations are determined from the experimental frequencies of the fundamental transitions and of the first overtones. The anharmonicities of the ν(OH‚‚‚N) vibration are rather high (between 180 and 235 cm -1 ) and are lower for the ν(OD‚‚‚N) vibration (between 115 and 125 cm -1 ). The first overtone of the ν(OH‚‚‚N) vibration shows for the stronger phenol-OH‚pyridine complexes a splitting assigned to proton transfer in the second vibrational excited state. The principal values of the potential shape (barrier height and values of the two minima) are calculated by the Lippincott-Schroeder potential function. The computed parameters indicate that for the weakest complexes the second minimum potential is higher than the V ) 2 vibrational level, in contrast with the strongest complexes, where the second minimum occurs at lower values than the V ) 2 level. The isotopic ratio varies between 1.346 and 1.255. The lowest values are observed for the complexes where the barrier top is in the vicinity of the first excited vibrational level. The correlation between the enthalpies of complex formation and the experimental and harmonic frequency shifts is discussed. The overtones and combination bands of pyridine are more perturbed in the stronger complexes.

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Section: Resultssupporting

confidence: 74%

FT-IR (7500−1800 cm^-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

Роспенк

Zeegers‐Huyskens

1997

J. Phys. Chem. A

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NMR and IR Spectroscopy of Phenols

Hansen

Spanget‐Larsen

2009

Patai's Chemistry of Functional Groups

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Semiclassical model calculations of NH⋯N H-bonds

Luck

Wess

1992

Journal of Molecular Structure

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Fourier transform infrared spectrometric study of the interaction between hexa-2,4-dienylideneisopropylamine and 3-phenylprop-2-enylideneisopropylamine with model proton donors Part II. Isotopic ratio OH/OD and 1500-800 cm−1 spectral range

Cited by 3 publications

References 19 publications

FT-IR (7500−1800 cm^-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

FT-IR (7500−1800 cm^-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

NMR and IR Spectroscopy of Phenols

Semiclassical model calculations of NH⋯N H-bonds

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Fourier transform infrared spectrometric study of the interaction between hexa-2,4-dienylideneisopropylamine and 3-phenylprop-2-enylideneisopropylamine with model proton donors Part II. Isotopic ratio OH/OD and 1500-800 cm−1 spectral range

Cited by 3 publications

References 19 publications

FT-IR (7500−1800 cm-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

FT-IR (7500−1800 cm-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

NMR and IR Spectroscopy of Phenols

Semiclassical model calculations of NH⋯N H-bonds

Contact Info

Product

Resources

About

FT-IR (7500−1800 cm^-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

FT-IR (7500−1800 cm^-1) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State