Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study.
Journal
Chemical science
ISSN: 2041-6520
Titre abrégé: Chem Sci
Pays: England
ID NLM: 101545951
Informations de publication
Date de publication:
15 Mar 2023
15 Mar 2023
Historique:
received:
03
08
2022
accepted:
07
02
2023
entrez:
20
3
2023
pubmed:
21
3
2023
medline:
21
3
2023
Statut:
epublish
Résumé
Understanding conical intersection (CI) dynamics and subsequent conformational changes is key for exploring and controlling photo-reactions in aromatic molecules. Monitoring of their time-resolved dynamics remains a formidable experimental challenge. In this study, we simulate the photoinduced S
Identifiants
pubmed: 36937575
doi: 10.1039/d2sc04335a
pii: d2sc04335a
pmc: PMC10016608
doi:
Types de publication
Journal Article
Langues
eng
Pagination
2971-2982Informations de copyright
This journal is © The Royal Society of Chemistry.
Déclaration de conflit d'intérêts
There are no conflicts to declare.
Références
J Chem Phys. 2014 May 28;140(20):204311
pubmed: 24880284
Nat Methods. 2014 Sep;11(9):923-6
pubmed: 25108686
Proc Natl Acad Sci U S A. 2012 Jul 17;109(29):11636-40
pubmed: 22753505
J Mol Model. 2004 Apr;10(2):155-64
pubmed: 14997367
Chem Sci. 2021 Feb 25;12(14):5286-5294
pubmed: 34168779
Phys Chem Chem Phys. 2019 Sep 21;21(35):18999-19010
pubmed: 31465041
Nature. 2010 Aug 5;466(7307):739-43
pubmed: 20686571
J Chem Theory Comput. 2016 Mar 8;12(3):957-67
pubmed: 26717255
J Phys Chem A. 2009 Nov 19;113(46):12815-24
pubmed: 19813720
Chem Rev. 2004 Apr;104(4):1781-812
pubmed: 15080712
Nature. 2010 Sep 23;467(7314):440-3
pubmed: 20864998
J Phys Chem Lett. 2018 Nov 15;9(22):6556-6562
pubmed: 30380873
J Chem Phys. 2009 Jun 28;130(24):244101
pubmed: 19566136
Nat Commun. 2021 Jun 16;12(1):3677
pubmed: 34135339
Phys Chem Chem Phys. 2016 Apr 21;18(15):10028-40
pubmed: 27004611
Proc Natl Acad Sci U S A. 2021 Jun 1;118(22):
pubmed: 34050030
Phys Chem Chem Phys. 2018 Jul 4;20(26):17762-17772
pubmed: 29917032
Phys Rev Lett. 2015 Jun 26;114(25):255501
pubmed: 26197134
J Am Chem Soc. 2017 Apr 12;139(14):5061-5066
pubmed: 28187684
Chem Rev. 2004 Apr;104(4):1719-57
pubmed: 15080710
Annu Rev Phys Chem. 2018 Apr 20;69:427-450
pubmed: 29490199
Proc Natl Acad Sci U S A. 2017 Sep 12;114(37):9803-9808
pubmed: 28847954
Proc Natl Acad Sci U S A. 2021 Jan 19;118(3):
pubmed: 33436412
ACS Cent Sci. 2020 Mar 25;6(3):347-358
pubmed: 32232135
J Am Chem Soc. 2002 Nov 20;124(46):13770-89
pubmed: 12431107
Science. 2019 Jun 14;364(6445):1062-1067
pubmed: 31197008
J Phys Chem Lett. 2020 Jun 4;11(11):4292-4297
pubmed: 32370507
J Chem Phys. 2014 Aug 7;141(5):054110
pubmed: 25106573
J Phys Chem Lett. 2017 Jul 20;8(14):3440-3451
pubmed: 28661140
Nat Commun. 2019 Jul 16;10(1):3133
pubmed: 31311933
Phys Chem Chem Phys. 2020 Nov 25;22(45):26605-26613
pubmed: 33201950
Chem Rev. 2018 Apr 11;118(7):3305-3336
pubmed: 29465231
Science. 2011 Oct 14;334(6053):208-12
pubmed: 21998383
Science. 2007 Jun 8;316(5830):1444-8
pubmed: 17556577
J Chem Theory Comput. 2022 May 10;18(5):3075-3088
pubmed: 35476905
Phys Chem Chem Phys. 2015 Feb 7;17(5):3316-25
pubmed: 25523235
Science. 2018 Jul 6;361(6397):64-67
pubmed: 29976821
J Chem Theory Comput. 2015 Dec 8;11(12):5804-9
pubmed: 26588191
Chem Sci. 2022 May 6;13(21):6373-6384
pubmed: 35733898
Nature. 2021 Aug;596(7873):531-535
pubmed: 34433948
J Phys Chem Lett. 2021 Dec 30;12(51):12300-12309
pubmed: 34931839
J Chem Theory Comput. 2020 Sep 8;16(9):5771-5783
pubmed: 32635739
Phys Rev Lett. 2016 Jul 1;117(1):013002
pubmed: 27419566
Nat Chem. 2021 Apr;13(4):343-349
pubmed: 33589787
Phys Rev Lett. 2019 Feb 15;122(6):063001
pubmed: 30822093
J Chem Theory Comput. 2022 Feb 8;18(2):605-613
pubmed: 35073085
Molecules. 2016 Nov 23;21(11):
pubmed: 27886099
J Chem Phys. 2019 Nov 7;151(17):174302
pubmed: 31703488
Proc Natl Acad Sci U S A. 2020 Sep 29;117(39):24069-24075
pubmed: 32929028
Phys Rev Lett. 2020 Aug 14;125(7):073203
pubmed: 32857563
Science. 1996 Jun 7;272(5267):1456-9
pubmed: 8662467
Chem Rev. 2020 Feb 26;120(4):2215-2287
pubmed: 32040312
J Am Chem Soc. 2018 Oct 3;140(39):12538-12544
pubmed: 30204442
J Chem Theory Comput. 2021 Jun 8;17(6):3629-3643
pubmed: 34014085
J Chem Phys. 2006 Jan 28;124(4):044103
pubmed: 16460145
Phys Rev Lett. 2015 Nov 6;115(19):193003
pubmed: 26588377
J Phys Chem Lett. 2021 Jun 24;12(24):5716-5722
pubmed: 34128675
Nat Chem. 2019 Aug;11(8):716-721
pubmed: 31285542
J Phys Chem Lett. 2021 Mar 25;12(11):2970-2982
pubmed: 33730495
Proc Natl Acad Sci U S A. 2018 Jun 26;115(26):6538-6547
pubmed: 29891703
Angew Chem Int Ed Engl. 2001 Apr 17;40(8):1466-1468
pubmed: 11317304