Tracking ultrafast non-adiabatic dissociation dynamics of the deuterated water dication molecule.

Autor:	Iskandar W; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA., Rescigno TN; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA., Orel AE; Chemical Engineering, University of California, Davis, California 95616, USA., Larsen KA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.; Graduate Group in Applied Science and Technology, University of California, Berkeley, California 94720, USA., Severt T; J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, Kansas 66506, USA., Streeter ZL; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.; Department of Chemistry, University of California, Davis, California 95616, USA., Jochim B; J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, Kansas 66506, USA., Griffin B; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.; Department of Physics, University of Nevada, Reno, Nevada 89557, USA., Call D; Department of Physics, University of Nevada, Reno, Nevada 89557, USA., Davis V; Department of Physics, University of Nevada, Reno, Nevada 89557, USA., McCurdy CW; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.; Department of Chemistry, University of California, Davis, California 95616, USA., Lucchese RR; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA., Williams JB; Department of Physics, University of Nevada, Reno, Nevada 89557, USA., Ben-Itzhak I; J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, Kansas 66506, USA., Slaughter DS; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA., Weber T; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Jazyk:	angličtina
Zdroj:	The Journal of chemical physics [J Chem Phys] 2024 Jul 28; Vol. 161 (4).
DOI:	10.1063/5.0219029
Abstrakt:	We applied reaction microscopy to elucidate fast non-adiabatic dissociation dynamics of deuterated water molecules after direct photo-double ionization at 61 eV with synchrotron radiation. For the very rare D+ + O+ + D breakup channel, the particle momenta, angular, and energy distributions of electrons and ions, measured in coincidence, reveal distinct electronic dication states and their dissociation pathways via spin-orbit coupling and charge transfer at crossings and seams on the potential energy surfaces. Notably, we could distinguish between direct and fast sequential dissociation scenarios. For the latter case, our measurements reveal the geometry and orientation of the deuterated water molecule with respect to the polarization vector that leads to this rare 3-body molecular breakup channel. Aided by multi-reference configuration-interaction calculations, the dissociation dynamics could be traced on the relevant potential energy surfaces and particularly their crossings and seams. This approach also unraveled the ultrafast time scales governing these processes. (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)
Databáze:	MEDLINE
Externí odkaz:	Zobrazit plný text záznamu