(2013)
abstract
By exposing molecules to ionizing radiation, radical species are formed. What appears as surprising is that even immediately after exposure to the radiation (as measured by doing experiments at liquid helium temperatures), there is a high degree of specificity in the radial production. This selectivity has been examined in crystals of the carbohydrate α-L-rhamnose by use of density functional theory calculations and periodic boundary conditions. In this molecule only one oxidation product is observed in experiments1,2, though three additional very similar radical species might in principle be produced. It is found that the observed product corresponds to a molecular conformation of slightly lower energy and a more preferable formation reaction path than the other three possible products3. The next step in understanding the radiation physics if this system will be to investigate the mechanisms behind the reduction product formations. References 1 P. O. Samskog and A. Lund, Chem. Phys. Lett., 1980, 75, 525-527. 2 E. E. Budzinski and H. C. Box, J. Chem. Phys., 1985, 82, 3487-3490. 3 S. G. Aalbergsjø, E. Pauwels, H. De Cooman, E. O. Hole and E. Sagstuen, Phys. Chem. Chem. Phys., 2013, 15, 9615-9619.
author
organization
year
type
conference
publication status
published
subject
keyword
Theoretical Chemistry, DFT, Radiation Chemistry, EPR
in
Fysikermøtet, Abstracts
publisher
University of Oslo. Department of Physics
place of publication
Oslo, Norway
conference name
Fysikermøtet 2013
conference location
Bergen, Norway
conference start
2013-08-07
conference end
2013-08-10
language
English
UGent publication?
yes
classification
C3
I have transferred the copyright for this publication to the publisher
id
4116756
handle
http://hdl.handle.net/1854/LU-4116756
date created
2013-08-19 11:15:07
date last changed
2017-01-02 09:53:07
@inproceedings{4116756,
abstract     = {By exposing molecules to ionizing radiation, radical species are formed. What appears as surprising is that even immediately after exposure to the radiation (as measured by doing experiments at liquid helium temperatures), there is a high degree of specificity in the radial production. This selectivity has been examined in crystals of the carbohydrate \ensuremath{\alpha}-L-rhamnose by use of density functional theory calculations and periodic boundary conditions. In this molecule only one oxidation product is observed in experiments1,2, though three additional very similar radical species might in principle be produced. It is found that the observed product corresponds to a molecular conformation of slightly lower energy and a more preferable formation reaction path than the other three possible products3. The next step in understanding the radiation physics if this system will be to investigate the mechanisms behind the reduction product formations.
References
1 P. O. Samskog and A. Lund, Chem. Phys. Lett., 1980, 75, 525-527.
2 E. E. Budzinski and H. C. Box, J. Chem. Phys., 1985, 82, 3487-3490.
3 S. G. Aalbergsj{\o}, E. Pauwels, H. De Cooman, E. O. Hole and E. Sagstuen, Phys. Chem. Chem. Phys., 2013, 15, 9615-9619.},
author       = {Aalbergsj{\o}, Siv G and Pauwels, Ewald and De Cooman, Hendrik and Hole, Eli O and Sagstuen, Einar},
booktitle    = {Fysikerm{\o}tet, Abstracts},
language     = {eng},
location     = {Bergen, Norway},
publisher    = {University of Oslo. Department of Physics},
title        = {Why are only certain radicals formed in sugars after irradiation?},
year         = {2013},
}


Chicago
Aalbergsjø, Siv G, Ewald Pauwels, Hendrik De Cooman, Eli O Hole, and Einar Sagstuen. 2013. “Why Are Only Certain Radicals Formed in Sugars After Irradiation?” In Fysikermøtet, Abstracts. Oslo, Norway: University of Oslo. Department of Physics.
APA
Aalbergsjø, S. G., Pauwels, E., De Cooman, H., Hole, E. O., & Sagstuen, E. (2013). Why are only certain radicals formed in sugars after irradiation? Fysikermøtet, Abstracts. Presented at the Fysikermøtet 2013, Oslo, Norway: University of Oslo. Department of Physics.
Vancouver
1.
Aalbergsjø SG, Pauwels E, De Cooman H, Hole EO, Sagstuen E. Why are only certain radicals formed in sugars after irradiation? Fysikermøtet, Abstracts. Oslo, Norway: University of Oslo. Department of Physics; 2013.
MLA
Aalbergsjø, Siv G, Ewald Pauwels, Hendrik De Cooman, et al. “Why Are Only Certain Radicals Formed in Sugars After Irradiation?” Fysikermøtet, Abstracts. Oslo, Norway: University of Oslo. Department of Physics, 2013. Print.