English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
 
 
DownloadE-Mail
  The chemistry of AlF and CaF production in buffer gas sources

Liu, X., Wang, W., Wright, S., Doppelbauer, M., Meijer, G., Truppe, S., et al. (2022). The chemistry of AlF and CaF production in buffer gas sources. The Journal of Chemical Physics, 157(7): 074305. doi:10.1063/5.0098378.

Item is

Files

show Files
hide Files
:
5.0098378.pdf (Publisher version), 6MB
Name:
5.0098378.pdf
Description:
-
OA-Status:
Hybrid
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
2022
Copyright Info:
The Author(s)

Locators

show

Creators

show
hide
 Creators:
Liu, Xiangyue1, Author           
Wang, Weiqi1, Author           
Wright, Sidney1, Author           
Doppelbauer, Maximilian1, Author           
Meijer, Gerard1, Author           
Truppe, Stefan1, Author           
Pérez-Ríos, Jesús1, Author           
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              

Content

show
hide
Free keywords: Bayesian inference; Reaction probability; Ab-initio molecular dynamics; Molecular beam; Reaction mechanisms
 Abstract: In this work, we explore the role of chemical reactions on the properties of buffer gas cooled molecular beams. In particular, we focus on scenarios relevant to the formation of AlF and CaF via chemical reactions between the Ca and Al atoms ablated from a solid target in an atmosphere of a fluorine-containing gas, in this case, SF6 and NF3. Reactions are studied following an ab initio molecular dynamics approach, and the results are rationalized following a tree-shaped reaction model based on Bayesian inference. We find that NF3 reacts more efficiently with hot metal atoms to form monofluoride molecules than SF6. In addition, when using NF3, the reaction products have lower kinetic energy, requiring fewer collisions to thermalize with the cryogenic helium. Furthermore, we find that the reaction probability for AlF formation is much higher than for CaF across a broad range of kinetic temperatures.

Details

show
hide
Language(s): eng - English
 Dates: 2022-05-082022-07-262022-08-182022-08-21
 Publication Status: Published in print
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1063/5.0098378
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: The Journal of Chemical Physics
  Abbreviation : J. Chem. Phys.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: 10 Volume / Issue: 157 (7) Sequence Number: 074305 Start / End Page: - Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226