Decoupling structural molecular dynamics from excited state lifetimes using few-femtosecond ultraviolet resonant dispersive waves

S Sebastian L. Jackson A Andrew W. Prentice (School of Engineering and Physical Sciences, Heriot-Watt University 2 , Edinburgh EH14 4AS,) L Lauren Bertram (Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford 3 , South Parks Road, Oxford,) L Lewis Hutton (Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford 16 , Oxford OX1 3QZ,) N Nikoleta Kotsina C Christian Brahms C Chris Sparling J John C. Travers A Adam Kirrander (Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford 16 , Oxford OX1 3QZ,) M Martin J. Paterson (Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University , Edinburgh EH14 4AS,) D Dave Townsend

Abstract

Abstract Optical sources exploiting resonant dispersive wave (RDW) emission are set to revolutionize ultrafast science. We demonstrate this approach by investigating excited state dynamics in morpholine using time-resolved photoelectron imaging. Excitation at 250 nm was achieved via RDW emission inside a helium-filled capillary fibre which, when combined with a short 800 nm probe, realized an instrument response of just 11 ± 2 fs. Two pathways initiate N–H bond fission: an extremely fast (<10 fs) process and a frustrated mechanism (380 fs) with hindered electronic ground state access. Photoelectron angular distributions also indicate average molecular geometry evolving on an intermediate (~100 fs) timescale. This clean distinction between population lifetimes and structural dynamics is enabled by the excellent temporal resolution inherent in RDW-based sources. Electronic structure and nonadiabatic surface hopping calculations support our data interpretation, and the synergy between experiment and theory is vital for developing a complete mechanistic picture.

Article Details

Volume / Issue Vol. 16, Issue 1
Published November 13, 2025
ISSN 2041-1723
Publisher Nature Portfolio

Journal Info

Nature Communications

Nature Portfolio

ISSN: 2041-1723 Open Access Life Sciences

Authors (11)

S

Sebastian L. Jackson

A

Andrew W. Prentice

School of Engineering and Physical Sciences, Heriot-Watt University 2 , Edinburgh EH14 4AS,

L

Lauren Bertram

Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford 3 , South Parks Road, Oxford,

L

Lewis Hutton

Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford 16 , Oxford OX1 3QZ,

N

Nikoleta Kotsina

C

Christian Brahms

C

Chris Sparling

J

John C. Travers

A

Adam Kirrander

Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford 16 , Oxford OX1 3QZ,

M

Martin J. Paterson

Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University , Edinburgh EH14 4AS,

D

Dave Townsend