skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Extraction of geometrical structure of ethylene molecules by laser-induced electron diffraction combined with ab initio scattering calculations

Abstract

In this paper, we measured angle-resolved high-energy electron spectra emitted from $${\mathrm{C}}_{2}{\mathrm{H}}_{4}$$ in an intense laser field, extracted field-free electron-ion elastic scattering differential cross sections (DCSs) according to quantitative rescattering theory, and obtained molecular contrast factors (MCFs) subtracting the incoherent sum of DCSs of all the atoms in the molecule. Comparing the results with ab initio scattering calculations and employing least-squares fitting, we have extracted the C-C and C-H bond lengths of the molecule with $${\sim}5$$ % uncertainty. Finally, this approach opens the way to retrieve the structure of hydrocarbon molecules, potentially at high temporal resolution, employing low collision energies where electron scattering is sensitive to the hydrogen atoms; and where the independent atom model calculations may fail to reproduce the experimentally extracted MCF.

Authors:
 [1];  [2];  [1];  [2];  [1]
  1. Tohoku Univ., Sendai (Japan). Inst. of Multidisciplinary Research for Advanced Materials
  2. Texas A & M Univ., College Station, TX (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Texas A & M Univ., College Station, TX (United States); Tohoku Univ., Sendai (Japan)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Robert A. Welch Foundation (United States); Japan Society for the Promotion of Science (JSPS)
OSTI Identifier:
1461123
Alternate Identifier(s):
OSTI ID: 1408930
Grant/Contract Number:  
SC0012198; A-1020; JP17K05739
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review A
Additional Journal Information:
Journal Volume: 96; Journal Issue: 5; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; strong electromagnetic field effects; strong-field-induced spectra

Citation Formats

Ito, Yuta, Carranza, Richard, Okunishi, Misaki, Lucchese, Robert R., and Ueda, Kiyoshi. Extraction of geometrical structure of ethylene molecules by laser-induced electron diffraction combined with ab initio scattering calculations. United States: N. p., 2017. Web. doi:10.1103/PhysRevA.96.053414.
Ito, Yuta, Carranza, Richard, Okunishi, Misaki, Lucchese, Robert R., & Ueda, Kiyoshi. Extraction of geometrical structure of ethylene molecules by laser-induced electron diffraction combined with ab initio scattering calculations. United States. doi:10.1103/PhysRevA.96.053414.
Ito, Yuta, Carranza, Richard, Okunishi, Misaki, Lucchese, Robert R., and Ueda, Kiyoshi. Wed . "Extraction of geometrical structure of ethylene molecules by laser-induced electron diffraction combined with ab initio scattering calculations". United States. doi:10.1103/PhysRevA.96.053414.
@article{osti_1461123,
title = {Extraction of geometrical structure of ethylene molecules by laser-induced electron diffraction combined with ab initio scattering calculations},
author = {Ito, Yuta and Carranza, Richard and Okunishi, Misaki and Lucchese, Robert R. and Ueda, Kiyoshi},
abstractNote = {In this paper, we measured angle-resolved high-energy electron spectra emitted from ${\mathrm{C}}_{2}{\mathrm{H}}_{4}$ in an intense laser field, extracted field-free electron-ion elastic scattering differential cross sections (DCSs) according to quantitative rescattering theory, and obtained molecular contrast factors (MCFs) subtracting the incoherent sum of DCSs of all the atoms in the molecule. Comparing the results with ab initio scattering calculations and employing least-squares fitting, we have extracted the C-C and C-H bond lengths of the molecule with ${\sim}5$ % uncertainty. Finally, this approach opens the way to retrieve the structure of hydrocarbon molecules, potentially at high temporal resolution, employing low collision energies where electron scattering is sensitive to the hydrogen atoms; and where the independent atom model calculations may fail to reproduce the experimentally extracted MCF.},
doi = {10.1103/PhysRevA.96.053414},
journal = {Physical Review A},
number = 5,
volume = 96,
place = {United States},
year = {Wed Nov 15 00:00:00 EST 2017},
month = {Wed Nov 15 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 15, 2018
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share: