Ultrafast Proton Transport between a Hydroxy Acid and a Nitrogen Base along Solvent Bridges Governed by the Hydroxide/Methoxide Transfer Mechanism.
Journal
Journal of the American Chemical Society
ISSN: 1520-5126
Titre abrégé: J Am Chem Soc
Pays: United States
ID NLM: 7503056
Informations de publication
Date de publication:
18 09 2019
18 09 2019
Historique:
pubmed:
27
8
2019
medline:
27
8
2019
entrez:
27
8
2019
Statut:
ppublish
Résumé
Aqueous proton transport plays a key role in acid-base neutralization and energy transport through biological membranes and hydrogen fuel cells. Extensive experimental and theoretical studies have resulted in a highly detailed elucidation of one of the underlying microscopic mechanisms for aqueous excess proton transport, known as the von Grotthuss mechanism, involving different hydrated proton configurations with associated high fluxional structural dynamics. Hydroxide transport, with approximately 2-fold-lower bulk diffusion rates compared to those of excess protons, has received much less attention. We present femtosecond UV/IR pump-probe experiments and ab initio molecular dynamics simulations of different proton transport pathways of bifunctional photoacid 7-hydroxyquinoline (7HQ) in water/methanol mixtures. For 7HQ solvent-dependent photoacidity, free-energy-reactivity correlation behavior and quantum mechanics/molecular mechanics (QM/MM) trajectories point to a dominant OH
Identifiants
pubmed: 31446754
doi: 10.1021/jacs.9b03471
pmc: PMC8168916
doi:
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
14581-14592Références
Angew Chem Int Ed Engl. 2006 Jan 9;45(3):415-9
pubmed: 16323238
Chem Rev. 2004 Oct;104(10):4587-611
pubmed: 15669163
J Phys Chem Lett. 2012 Sep 20;3(18):2633-7
pubmed: 26295883
J Am Chem Soc. 2007 Nov 7;129(44):13412-20
pubmed: 17935322
Phys Chem Chem Phys. 2014 May 21;16(19):9104-14
pubmed: 24700348
Nature. 2002 Jun 27;417(6892):925-9
pubmed: 12087398
J Am Chem Soc. 2010 Nov 17;132(45):16225-39
pubmed: 20964330
J Phys Chem A. 2016 Dec 1;120(47):9378-9389
pubmed: 27934323
Proc Natl Acad Sci U S A. 2013 Aug 20;110(34):13723-8
pubmed: 23868853
J Mol Biol. 1992 Mar 20;224(2):473-86
pubmed: 1313886
J Phys Chem B. 2015 Jan 29;119(4):1558-66
pubmed: 25531023
J Phys Chem A. 2015 May 21;119(20):4800-12
pubmed: 25879273
Annu Rev Phys Chem. 2011;62:395-416
pubmed: 21219140
Nat Chem. 2018 Apr;10(4):413-419
pubmed: 29531374
Chem Rev. 2002 Dec;102(12):4501-24
pubmed: 12475199
J Phys Chem B. 2013 Apr 25;117(16):4594-603
pubmed: 23305373
Faraday Discuss. 2003;122:27-40; discussion 79-88
pubmed: 12555848
J Phys Chem B. 2006 Aug 17;110(32):16066-81
pubmed: 16898764
J Phys Chem B. 2015 Mar 12;119(10):4053-60
pubmed: 25714490
J Phys Chem B. 2015 Feb 12;119(6):2690-701
pubmed: 25369117
J Phys Chem Lett. 2011 Jan 20;2(2):81-6
pubmed: 26295525
Chem Rev. 2010 Apr 14;110(4):2174-216
pubmed: 20170203
J Phys Chem Lett. 2014 Sep 18;5(18):3200-5
pubmed: 26276332
Proc Natl Acad Sci U S A. 1999 May 11;96(10):5498-503
pubmed: 10318912
Phys Chem Chem Phys. 2012 Jul 7;14(25):8974-80
pubmed: 22358321
Science. 2009 Dec 18;326(5960):1690-4
pubmed: 19965381
Nat Chem. 2016 Sep;8(9):874-80
pubmed: 27554414
Proc Natl Acad Sci U S A. 2017 Dec 19;114(51):E10909-E10918
pubmed: 29203649
Proc Natl Acad Sci U S A. 2011 Jul 12;108(28):11435-9
pubmed: 21709261
Chemphyschem. 2006 Sep 11;7(9):1848-70
pubmed: 16929553
Chemphyschem. 2005 Apr;6(4):625-36
pubmed: 15881578
Science. 2005 Oct 7;310(5745):83-6
pubmed: 16210532
Chempluschem. 2016 Aug;81(8):691-701
pubmed: 31968837
Angew Chem Int Ed Engl. 2007;46(9):1458-61
pubmed: 17212371
Nat Chem. 2013 Jan;5(1):29-35
pubmed: 23247174