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Aromaticity and antiaromaticity in the excited states of porphyrin nanorings

Abstract:

Aromaticity can be a useful concept for predicting the behavior of excited states. Here we show that π-conjugated porphyrin nanorings exhibit size-dependent excited-state global aromaticity and antiaromaticity for rings containing up to eight porphyrin subunits, although they have no significant global aromaticity in their neutral singlet ground states. Applying Baird's rule, even rings ([4 n] π-electrons) are aromatic in their lowest excited states, whereas the lowest excited states of odd r...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.jpclett.9b00623

Authors


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Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Sub department:
Organic Chemistry
Oxford college:
Exeter College
Role:
Author
ORCID:
0000-0002-9057-9444
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
ORCID:
0000-0002-0659-487X
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Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry Letters Journal website
Volume:
10
Issue:
8
Pages:
2017-2022
Publication date:
2019-04-05
Acceptance date:
2019-04-05
DOI:
EISSN:
1948-7185
ISSN:
1948-7185
Pmid:
30951313
Source identifiers:
988804
Language:
English
Keywords:
Pubs id:
pubs:988804
UUID:
uuid:5bd9c92f-280a-4ed7-8558-b39d05f673ab
Local pid:
pubs:988804
Deposit date:
2019-04-24

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