Journal article
Charge-carrier cooling and polarization memory loss in formamidinium tin triiodide
- Abstract:
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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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- Files:
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(Preview, Version of record, pdf, 768.6KB, Terms of use)
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- Publisher copy:
- 10.1021/acs.jpclett.9b02353
Authors
- 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:
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1948-7185
- ISSN:
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1948-7185
- Language:
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English
- Pubs id:
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pubs:1054878
- UUID:
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uuid:d22703ce-72c6-4d61-bf9f-646efeab3d96
- Local pid:
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pubs:1054878
- Source identifiers:
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1054878
- Deposit date:
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2019-09-23
Terms of use
- Copyright holder:
- American Chemical Society
- Copyright date:
- 2019
- Notes:
- Copyright © 2019 American Chemical Society. This is an open access article published under CC BY 4.0.
- Licence:
- CC Attribution (CC BY)
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