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Evolution of vibrational spectra in the manganese–silicon clusters Mn2Sin, n = 10, 12, and 13, and cationic [Mn2Si13]+

Abstract:

A comparison of DFT-computed and measured infrared spectra reveals the ground state structures of a series of gas-phase silicon clusters containing a common Mn2 unit. Mn2Si12 and [Mn2Si13]+ are both axially symmetric, allowing for a clean separation of the vibrational modes into parallel (a1) and perpendicular (e1) components. Information about the Mn–Mn and Mn–Si bonding can be extracted by tracing the ev...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.jpca.1c10027

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Role:
Author
ORCID:
0000-0002-6595-170X
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Role:
Author
More by this author
Role:
Author
ORCID:
0000-0002-3803-0569
More by this author
Role:
Author
ORCID:
0000-0003-0400-0932
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Name:
Fonds Wetenschappelijk Onderzoek
Publisher:
American Chemical Society
Journal:
The Journal of Physical Chemistry A More from this journal
Volume:
126
Issue:
10
Pages:
1617-1626
Place of publication:
United States
Publication date:
2022-03-03
Acceptance date:
2022-02-17
DOI:
EISSN:
1520-5215
ISSN:
1089-5639
Pmid:
35238570
Language:
English
Keywords:
Pubs id:
1243156
Local pid:
pubs:1243156
Deposit date:
2023-01-15

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