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Spiro-conjugated molecular junctions: between Jahn-Teller distortion and destructive quantum interference

Abstract:

The quest for molecular structures exhibiting strong quantum interference effects in the transport setting has long been on the forefront of chemical research. Here, we establish theoretically that the unusual geometry of spiro-conjugated systems gives rise to complete destructive interference in the resonant-transport regime. This results in a current blockade of the type not present in meta-connected benzene or similar molecular structures. We further show that these systems can undergo a t...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.jpclett.8b00550

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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Oxford college:
Wolfson College
Role:
Author
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Institution:
University of Oxford
Division:
MPLS Division
Department:
Materials
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Materials
Role:
Author
Clarendon Fund More from this funder
Hertford College Oxford More from this funder
Royal Society of Edinburgh More from this funder
Royal Academy of Engineering More from this funder
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Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry Letters Journal website
Volume:
9
Issue:
8
Pages:
1859–1865
Publication date:
2018-03-28
Acceptance date:
2018-03-28
DOI:
EISSN:
1948-7185
Source identifiers:
826725
Keywords:
Pubs id:
pubs:826725
UUID:
uuid:5b800c69-e740-413d-b3f1-a38aed3d21b3
Local pid:
pubs:826725
Deposit date:
2018-04-04

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