Observing electron localization in a dissociating H2+ molecule in real time

• Published in: Nature communications Vol. 8; no. 1; p. 15849
• Main Authors: Xu, H., Li, Zhichao, He, Feng, Wang, X., Atia-Tul-Noor, A., Kielpinski, D., Sang, R. T., Litvinyuk, I. V.
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 16.06.2017; Nature Publishing Group; Nature Portfolio
• Subjects: 639/638/440/527; 639/766/36/1121; 639/766/930/2735; Breaking; Computer simulation; Diatomic molecules; Equivalence; Fragmentation; Fragments; Humanities and Social Sciences; Hydrogen; Localization; Mathematical models; multidisciplinary; Nuclei; Nuclei (nuclear physics); Real time; Science; Science (multidisciplinary); Time dependence
• ISSN: 2041-1723; 2041-1723
• DOI: 10.1038/ncomms15849

Dissociation of diatomic molecules with odd number of electrons always causes the unpaired electron to localize on one of the two resulting atomic fragments. In the simplest diatomic molecule H 2 + dissociation yields a hydrogen atom and a proton with the sole electron ending up on one of the two nuclei. That is equivalent to breaking of a chemical bond—the most fundamental chemical process. Here we observe such electron localization in real time by performing a pump–probe experiment. We demonstrate that in H 2 + electron localization is complete in just 15 fs when the molecule’s internuclear distance reaches 8 atomic units. The measurement is supported by a theoretical simulation based on numerical solution of the time-dependent Schrödinger equation. This observation advances our understanding of detailed dynamics of molecular dissociation. Time resolved measurements provide insights to the intriguing process of ultrafast molecular fragmentation. Here the authors use CEP-locked laser pulses in pump–probe scheme to explore the H 2 + dissociation and find out that the electron localization to one of the nuclei occurs in about 15 fs.