Evidence map›Paper›PMID 30975771›Full record

ArticleScience (New York, N.Y.)2019

Concerted proton-electron transfer reactions in the Marcus inverted region.

Giovanny A Parada, Zachary K Goldsmith, Scott Kolmar, Belinda Pettersson Rimgard, Brandon Q Mercado, Leif Hammarström, Sharon Hammes-Schiffer, James M Mayer

Abstract read
In one paragraph

Article in Science (New York, N.Y.), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 60 papers.

0numbers the graph read from it
0cells of the map it votes in
60citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

60 citing papers in PubMed.

  1. Mapping Proton-Coupled Electron Transfer With Real Space Coordinates.Angewandte Chemie (International ed. in English) · 2026
    Article
  2. Article
  3. Synergistic Dual Modulation of LiAdvanced materials (Deerfield Beach, Fla.) · 2026
    Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Article
  11. Recent Advances in Mediator and Proton Relay Usage in Molecular Catalysis.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Review
  12. Article
  13. Article
  14. Article
  15. Review
  16. Article
  17. Article
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

8 authors.

Giovanny A ParadaDepartment of Chemistry, Yale University, New Haven, CT, USA.ORCID 0000-0002-1669-8832
Zachary K GoldsmithDepartment of Chemistry, Yale University, New Haven, CT, USA.
Scott KolmarDepartment of Chemistry, Yale University, New Haven, CT, USA.ORCID 0000-0002-7797-700X
Belinda Pettersson RimgardDepartment of Chemistry - Ångström Laboratory, Uppsala University, Uppsala, Sweden.ORCID 0000-0003-2268-0150
Brandon Q MercadoDepartment of Chemistry, Yale University, New Haven, CT, USA.
Leif HammarströmDepartment of Chemistry - Ångström Laboratory, Uppsala University, Uppsala, Sweden. james.mayer@yale.edu sharon.hammes-schiffer@yale.edu leif.hammarstrom@kemi.uu.se.ORCID 0000-0002-9933-9084
Sharon Hammes-SchifferDepartment of Chemistry, Yale University, New Haven, CT, USA. james.mayer@yale.edu sharon.hammes-schiffer@yale.edu leif.hammarstrom@kemi.uu.se.ORCID 0000-0002-3782-6995
James M MayerDepartment of Chemistry, Yale University, New Haven, CT, USA. james.mayer@yale.edu sharon.hammes-schiffer@yale.edu leif.hammarstrom@kemi.uu.se.ORCID 0000-0002-3943-5250

Funding

UNDERSTANDING METAL MEDIATED C-H AND O-H BOND OXIDATIONSR01GM050422 · NIGMS · YALE UNIVERSITY · PI MAYER, JAMES M · 1995 to 2020
$6.1M
Simulation of Proton and Hydride Transfer in EnzymesR37GM056207 · NIGMS · YALE UNIVERSITY · PI HAMMES-SCHIFFER, SHARON · 2011 to 2020
$3.2M
SIMULATION OF PROTON AND HYDRIDE TRANSFER IN ENZYMESR01GM056207 · NIGMS · UNIVERSITY OF NOTRE DAME · PI HAMMES-SCHIFFER, SHARON · 1998 to 2010
$2.7M
NIGMS NIH HHS R01 GM050422NIGMS NIH HHS R01 GM056207NIGMS NIH HHS R37 GM056207
6 · The paper itself

Abstract

Electron transfer reactions slow down when they become very thermodynamically favorable, a counterintuitive interplay of kinetics and thermodynamics termed the inverted region in Marcus theory. Here we report inverted region behavior for proton-coupled electron transfer (PCET). Photochemical studies of anthracene-phenol-pyridine triads give rate constants for PCET charge recombination that are slower for the more thermodynamically favorable reactions. Photoexcitation forms an anthracene excited state that undergoes PCET to create a charge-separated state. The rate constants for return charge recombination show an inverted dependence on the driving force upon changing pyridine substituents and the solvent. Calculations using vibronically nonadiabatic PCET theory yield rate constants for simultaneous tunneling of the electron and proton that account for the results.

Identifiers

PMID30975771
PMCPMC6681808

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.