Signature of Nonadiabatic Transitions on the Pump−Probe Infrared Spectra of a Hydrogen-Bonded Complex Dissolved in a Polar Solvent: A Computational Study

Gabriel Hanna; Eitan Geva

doi:10.1021/jp1061495

Signature of Nonadiabatic Transitions on the Pump−Probe Infrared Spectra of a Hydrogen-Bonded Complex Dissolved in a Polar Solvent: A Computational Study

The Journal of Physical Chemistry B ◽

10.1021/jp1061495 ◽

2011 ◽

Vol 115 (18) ◽

pp. 5191-5200 ◽

Cited By ~ 15

Author(s):

Gabriel Hanna ◽

Eitan Geva

Keyword(s):

Infrared Spectra ◽

Polar Solvent ◽

Computational Study ◽

Pump Probe ◽

Nonadiabatic Transitions ◽

Hydrogen Bonded

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Solvent‐induced nonadiabatic transitions in iodine: An ultrafast pump–probe computational study

The Journal of Chemical Physics ◽

10.1063/1.472175 ◽

1996 ◽

Vol 105 (8) ◽

pp. 3035-3056 ◽

Cited By ~ 27

Author(s):

M. Ben‐Nun ◽

R. D. Levine ◽

Graham R. Fleming

Keyword(s):

Computational Study ◽

Pump Probe ◽

Nonadiabatic Transitions

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Computational Study of the One- and Two-Dimensional Infrared Spectra of a Proton-Transfer Mode in a Hydrogen-Bonded Complex Dissolved in a Polar Nanocluster

ChemPhysChem ◽

10.1002/cphc.201300610 ◽

2013 ◽

Vol 14 (14) ◽

pp. 3309-3318 ◽

Cited By ~ 2

Author(s):

Chia Shen Sow ◽

Joseph Tomkins ◽

Gabriel Hanna

Keyword(s):

Proton Transfer ◽

Infrared Spectra ◽

Computational Study ◽

Two Dimensional ◽

Transfer Mode ◽

The One ◽

Hydrogen Bonded

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Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid

Chemical Physics ◽

10.1016/j.chemphys.2010.01.013 ◽

2010 ◽

Vol 370 (1-3) ◽

pp. 201-207 ◽

Cited By ~ 7

Author(s):

Gabriel Hanna ◽

Eitan Geva

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Infrared Spectra ◽

Computational Study ◽

Polar Liquid ◽

Hydrogen Bond Strength ◽

Hydrogen Bonded

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Effect of Pressure on the Infrared Spectra of Some Hydrogen‐Bonded Solids

The Journal of Chemical Physics ◽

10.1063/1.1725646 ◽

1964 ◽

Vol 41 (1) ◽

pp. 47-50 ◽

Cited By ~ 34

Author(s):

Joseph Reynolds ◽

Sanford S. Sternstein

Keyword(s):

Infrared Spectra ◽

Effect Of Pressure ◽

Hydrogen Bonded

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Systematic computational study of the geometrical dependence of deuterium quadrupole interaction parameters in an O–2H⋯OC hydrogen bonded system

Chemical Physics ◽

10.1016/s0301-0104(00)00057-4 ◽

2000 ◽

Vol 256 (2) ◽

pp. 159-168 ◽

Cited By ~ 4

Author(s):

Giles W. Turner ◽

Roy L. Johnston ◽

Kenneth D.M. Harris

Keyword(s):

Quadrupole Interaction ◽

Computational Study ◽

Interaction Parameters ◽

Hydrogen Bonded

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Infrared spectra calculated by quantum chemistry with anharmonic corrections: Application to hydrogen-bonded complexes of nitric acid with various bases

Chemical Physics ◽

10.1016/j.chemphys.2005.01.031 ◽

2005 ◽

Vol 314 (1-3) ◽

pp. 159-171 ◽

Cited By ~ 2

Author(s):

Y. Bouteiller

Keyword(s):

Nitric Acid ◽

Quantum Chemistry ◽

Infrared Spectra ◽

Anharmonic Corrections ◽

Bonded Complexes ◽

Hydrogen Bonded

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Effects of Different Quantum Coherence on the Pump–Probe Polarization Anisotropy of Photosynthetic Light-Harvesting Complexes: A Computational Study

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.5b00690 ◽

2015 ◽

Vol 6 (10) ◽

pp. 1954-1960 ◽

Cited By ~ 16

Author(s):

Shuming Bai ◽

Kai Song ◽

Qiang Shi

Keyword(s):

Quantum Coherence ◽

Light Harvesting ◽

Computational Study ◽

Polarization Anisotropy ◽

Light Harvesting Complexes ◽

Pump Probe

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Computational Study on the Unconventional Hydrogen-Bonded F-H···C Systems

Journal of the Chinese Chemical Society ◽

10.1002/jccs.200900078 ◽

2009 ◽

Vol 56 (3) ◽

pp. 532-538 ◽

Cited By ~ 4

Author(s):

Hsin-Yi Liao

Keyword(s):

Computational Study ◽

Hydrogen Bonded

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Theoretical modeling of infrared spectra of hydrogen-bonded crystals of salicylic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.06.049 ◽

2006 ◽

Vol 64 (3) ◽

pp. 757-760 ◽

Cited By ~ 24

Author(s):

Marek Boczar ◽

Łukasz Boda ◽

Marek J. Wójcik

Keyword(s):

Salicylic Acid ◽

Infrared Spectra ◽

Theoretical Modeling ◽

Hydrogen Bonded

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Hydrogen bonding and conformation in cis- and trans-2-alkoxy-3-hydroxytetrahydrofurans

Canadian Journal of Chemistry ◽

10.1139/v68-004 ◽

1968 ◽

Vol 46 (1) ◽

pp. 21-24 ◽

Cited By ~ 5

Author(s):

W. W. Zajac Jr. ◽

F. Sweet ◽

R. K. Brown

Keyword(s):

Hydrogen Bonding ◽

Infrared Spectra ◽

Hydroxyl Absorption ◽

Cis And Trans ◽

In Cis ◽

Infrared Data ◽

Hydrogen Bonded

Infrared spectra show both free and hydrogen bonded hydroxyl absorption in several trans-2-alkoxy-3-hydroxytetrahydrofurans. The extent of non-bonded hydroxyl is greater than that of bonded hydroxyl. Suggestions are made of possible conformations which might account for the infrared data.

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