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Journal article

Charge-carrier cooling and polarization memory loss in formamidinium tin triiodide

Abstract:

Combination of a cryogenic ion-trap machine, operated at 4.7 K, with the free-electron-laser FELIX allows the first experimental characterization of the unusually bright antisymmetric stretch (ν3) and π-bending (ν2) fundamentals of the He–X+–He (X = H, D) chromophore of the in situ prepared HHen+ and DHen+ (n = 3–6) complexes. The band origins obtained are fully supported by first-principles quantum-chemical computations, performed at the MP2, the CCSD(T), and occasionally the CCSDTQ levels employing extended basis sets. Both the experiments and the computations are consistent with structures for the species with n = 3 and 6 being of T-shaped C2v and of D4h symmetry, respectively, while the species with n = 4 are suggested to exhibit interesting dynamical phenomena related to large-amplitude motions.

Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.jpclett.9b02353

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Physics
Sub department:
Condensed Matter Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Condensed Matter Physics
Oxford college:
Nuffield College
Role:
Author
ORCID:
0000-0001-9621-334X


Publisher:
American Chemical Society
Journal:
Journal of Physical Chemistry Letters More from this journal
Volume:
10
Issue:
20
Pages:
6038-6047
Publication date:
2019-09-23
Acceptance date:
2019-09-23
DOI:
EISSN:
1948-7185
ISSN:
1948-7185


Language:
English
Pubs id:
pubs:1054878
UUID:
uuid:d22703ce-72c6-4d61-bf9f-646efeab3d96
Local pid:
pubs:1054878
Source identifiers:
1054878
Deposit date:
2019-09-23

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