The intramolecular OH bond length of water in a concentrated poly(ethyleneoxide) solution. An NMR relaxation study

Bieze, T. W. N.; Maarel, Johan R. C. van der; Leyte, J. C.

doi:10.1016/0009-2614(93)e1245-c

Cited by 22 publications

(11 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…2 ). In contrast, the weak mode mixing for the stretch mode of isotopically diluted water is consistent with the observation that the anisotropy decay for the of the O–H stretch mode at ~3400 cm −1 for isotopically diluted water (≈3–4 ps 7 , 41 , 44 ) is comparable to the orientational correlation time as detected with NMR (decay ≈2 ps 45 – 48 ).…”

Section: Discussionsupporting

confidence: 88%

Vibrational couplings and energy transfer pathways of water’s bending mode

Chiang

Okuno

et al. 2020

Nat Commun

View full text Add to dashboard Cite

Coupling between vibrational modes is essential for energy transfer and dissipation in condensed matter. For water, different O-H stretch modes are known to be very strongly coupled both within and between water molecules, leading to ultrafast dissipation and delocalization of vibrational energy. In contrast, the information on the vibrational coupling of the H-O-H bending mode of water is lacking, even though the bending mode is an essential intermediate for the energy relaxation pathway from the stretch mode to the heat bath. By combining static and femtosecond infrared, Raman, and hyper-Raman spectroscopies for isotopically diluted water with ab initio molecular dynamics simulations, we find the vibrational coupling of the bending mode differs significantly from the stretch mode: the intramode intermolecular coupling of the bending mode is very weak, in stark contrast to the stretch mode. Our results elucidate the vibrational energy transfer pathways of water. Specifically, the librational motion is essential for the vibrational energy relaxation and orientational dynamics of H-O-H bending mode.

show abstract

Section: Discussionsupporting

confidence: 88%

Vibrational couplings and energy transfer pathways of water’s bending mode

Chiang

Okuno

et al. 2020

Nat Commun

View full text Add to dashboard Cite

show abstract

“…2). In contrast, the weak mode mixing for the stretch mode of isotopically diluted water is consistent with the observation that the anisotropy decay for the of the O-H stretch mode at~3400 cm −1 for isotopically diluted water (≈3-4 ps 7,41,44 ) is comparable to the orientational correlation time as detected with NMR (decay ≈2 ps [45][46][47][48] ).…”

Section: Discussionsupporting

confidence: 88%

Vibrational Couplings and Energy Transfer Pathways of Water’s Bending Mode

Yu¹,

Chiang²,

Okuno³

et al. 2020

Preprint

View full text Add to dashboard Cite

<p>Coupling between vibrational modes is essential for energy transfer and dissipation in condensed matter. For water, different O-H stretch modes are known to be very strongly coupled both within and between water molecules, leading to ultrafast dissipation and delocalization of vibrational energy. In contrast, the information on the vibrational coupling of the H-O-H bending mode of water is lacking, even though the bending mode is an essential intermediate for the energy relaxation pathway from the stretch mode to the heat bath. By combining static and femtosecond infrared, Raman, and hyper-Raman spectroscopy with<i> ab initio </i>molecular dynamics simulations, we find the vibrational coupling of the bending mode differs significantly from the stretch mode: the intramode intermolecular coupling of the bending mode is very weak, in stark contrast to the stretch mode. Our results elucidate the vibrational energy transfer pathways of water. Specifically, the librational motion is essential for the vibrational energy relaxation and orientational dynamics of H-O-H bending mode.</p>

show abstract

“…26,37,38,39 As such, large bending-libration mode mixing rationalizes the observation that the excitation anisotropy for the 1650 cm -1 band (~ 440 fs) of isotopically diluted water as measured in the pump-probe IR measurement decays much faster than the orientation of the bisector as measured using NMR (~ 1.9 ps) 32 . The weak mode mixing for the stretch mode is further consistent with the observation that the anisotropy decay for the of the O-H stretch mode at ~3400 cm -1 for isotopically diluted water (≈ 3-4 ps 7,37,40 ) is comparable to the orientational correlation time as detected with NMR (decay ≈ 2 ps [41][42][43][44] ).…”

Section: Discussionsupporting

confidence: 87%

Vibrational Couplings and Energy Transfer Pathways of Water’s Bending Mode

Chiang

Okuno

et al. 2020

Preprint

View full text Add to dashboard Cite

Coupling between vibrational modes is essential for energy transfer and dissipation in condensed matter. For water, different O-H stretch modes are known to be very strongly coupled both within and between water molecules, leading to ultrafast dissipation and delocalization of vibrational energy. In contrast, the information on the vibrational coupling of the H-O-H bending mode of water is lacking, even though the bending mode is an essential intermediate for the energy relaxation pathway from the stretch mode to the heat bath. By combining static and femtosecond infrared, Raman, and hyper-Raman spectroscopy with ab initio molecular dynamics simulations, we find the vibrational coupling of the bending mode differs significantly from the stretch mode: the intramode intermolecular coupling of the bending mode is very weak, in stark contrast to the stretch mode. Our results elucidate the vibrational energy transfer pathways of water. Specifically, the librational motion is essential for the vibrational energy relaxation and orientational dynamics of H-O-H bending mode.

show abstract

The intramolecular OH bond length of water in a concentrated poly(ethyleneoxide) solution. An NMR relaxation study

Cited by 22 publications

References 13 publications

Vibrational couplings and energy transfer pathways of water’s bending mode

Vibrational couplings and energy transfer pathways of water’s bending mode

Vibrational Couplings and Energy Transfer Pathways of Water’s Bending Mode

Vibrational Couplings and Energy Transfer Pathways of Water’s Bending Mode

Contact Info

Product

Resources

About