Resonant IR Photon Induced Dissociation in Organic Molecules with Chain-like Substructures

2002 ◽  
Vol 57 (5) ◽  
pp. 270-276 ◽  
Author(s):  
H. Jungclas ◽  
L. Schmidt ◽  
V. V. Komarov ◽  
A. M. Popova ◽  
I. O. Stureikoa
Keyword(s):  
Time Scale ◽  
Organic Molecules ◽  
Local Heating ◽  
Molecular Chain ◽  
Photon Radiation ◽  
Analytical Expression ◽  
Vibrational Excitations ◽  
Fragmentation Probability

A nonstatistical model for the resonant IR photon induced dissociation of organic molecules by IR photons is suggested. The model is based on the excimol theory for molecules which contain chains of identical diatomic dipole groups. IR photon radiation can induce resonantly collective vibrational excitations (excimols) in these molecular substructures. The accumulation of several excimols in the molecular chain causes a local heating of the molecule and its fragmentation on a time scale of several hundreds of femtoseconds. An analytical expression for the fragmentation probability is derived and analysed.

Local Heating and Dissociation of Organic Molecules by IR Fields

2004 ◽  
Vol 59 (12) ◽  
pp. 964-970 ◽  
Author(s):  
H. Jungclas ◽  
L. Schmidt ◽  
V.V. Komarov ◽  
A.M. Popova ◽  
I. O. Stureiko
Keyword(s):  
Organic Molecules ◽  
Vibrational Energy ◽  
Local Heating ◽  
Dissociation Probability ◽  
Dipole Interactions ◽  
Internal Transition ◽  
Pile Up ◽  
Vibrational Excitations ◽  
Position And Orientation ◽  
A Chain

A nonstatistical model for internal transition of collective vibrational energy to specific bonds in organic molecules is presented. The model is developed for molecules which contain a chain of identical biatomic dipoles, e.g. C-H groups. Resonant IR fields can induce collective vibrational excitations (excimols) in the dipole chain. The accumulated vibrational energy can be transmitted to particular bonds, which are not part of the chain but close enough for dipole-dipole interactions. Specific properties of such bonds enable a pile up of harvested excimol energy there, thus making dissociation of these bonds a likely exit channel. An analytical expression for the calculation of dissociation probabilities was derived and analysed. It is shown that the dissociation probability strongly depends on the position and orientation of the bond relative to the position and orientation of the dipoles in the chain. The consequences of the presented model were experimentally checked by comparing the fragmentation of the isomers Leucine and Isoleucine. - PACS: 30.00 - 34.10 - 36.40

scholarly journals Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
X Ray Absorption ◽  
Ray Scattering

AbstractQuenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

scholarly journals Vibrational Resonant Inelastic X-Ray Scattering Inliquid Acetic Acid: A Ruler for Molecular Chain Lengths

2020 ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia-Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
Ray Scattering

Abstract Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O-H bond, the spectra lack the typical progressionof vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

Vibration Energy Accumulation and Redistribution in Organic Molecules Irradiated by Infrared Photons

2007 ◽  
Vol 62 (5-6) ◽  
pp. 324-330 ◽  
Author(s):  
Hartmut Jungclas ◽  
Anna M. Popova ◽  
Viacheslav V. Komarov ◽  
Lothar Schmidt ◽  
Alexander Zulauf
Keyword(s):  
Organic Molecules ◽  
Electronic Excitation ◽  
Vibrational Energy ◽  
Point Of View ◽  
Low Energy ◽  
Photon Absorption ◽  
Energy Accumulation ◽  
Dipole Interactions ◽  
Donor And Acceptor ◽  
Vibrational Excitations

A theoretical approach to the dissociation and low-energy electronic excitation of polyatomic organic molecules with donor and acceptor substructures is suggested. The donor hydrocarbon molecular substructures can serve as antennas for low-energy infrared (IR)-photon absorption, which coherently induce collective vibrational excitations (excimols). Due to dipole-dipole interactions, the accumulated energy can transit to the molecular acceptors: dipole-type trap-bonds or molecular parts with π-electron orbits. The analytical expressions for the probability functions of molecular fragmentation and electronic excitation induced by IR-multiphoton absorption are derived. The vibrational energy accumulation and redistribution in the molecules of diphenylalkanes irradiated by infrared photons are considered from the presented point of view.

Electronic Structure of One-Dimensional Biradical Molecular Chain

2014 ◽  
Vol 1605 ◽  
Author(s):  
H. Koike ◽  
K. Ogawa ◽  
T. Kubo ◽  
K. Uchida ◽  
M. Chikamatsu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Photoelectron Spectroscopy ◽  
Organic Molecules ◽  
Molecular Chain ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
Deposition Method ◽  
One Dimensional ◽  
The One

ABSTRACTWe investigated electronic structure of one-dimensional biradical molecular chain which is constructed by exploiting the covalency between organic molecules of a diphenyl derivative of s-indacenodiphenalene (Ph2-IDPL). To control the crystallinity, we used gas deposition method. Ultraviolet photoelectron spectroscopy (UPS) revealed developed band structure with wide dispersion of the one-dimensional biradical molecular chain.

scholarly journals Using Electron Induced Dissociation (EID) on an LC Time-Scale to Characterize a Mixture of Analogous Small Organic Molecules

2012 ◽  
Vol 23 (5) ◽  
pp. 850-857 ◽  
Author(s):  
Aruna S. Prakash ◽  
Michael J. P. Smith ◽  
Zied Kaabia ◽  
Glenn Hurst ◽  
Ci Yan ◽  
...  
Keyword(s):  
Time Scale ◽  
Organic Molecules ◽  
Small Organic Molecules

scholarly journals The full dynamics of energy relaxation in large organic molecules: from photo-excitation to solvent heating

2019 ◽  
Vol 10 (18) ◽  
pp. 4792-4804 ◽  
Author(s):  
Vytautas Balevičius Jr ◽  
Tiejun Wei ◽  
Devis Di Tommaso ◽  
Darius Abramavicius ◽  
Jürgen Hauer ◽  
...  
Keyword(s):  
Excitation Energy ◽  
Time Scale ◽  
Degrees Of Freedom ◽  
Organic Molecules ◽  
Energy Relaxation ◽  
Molecular Systems ◽  
Picosecond Time Scale

In some molecular systems, such as nucleobases, polyenes or sunscreens, substantial amounts of photo-excitation energy are dissipated on a sub-picosecond time scale. Where does this energy go or among which degrees of freedom it is being distributed at such early times?

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