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

Area of Science:

• Physical Chemistry
• Quantum Mechanics
• Molecular Dynamics

Background:

• Dissociation of molecules with an odd number of electrons results in electron localization on one fragment.
• The hydrogen molecular ion (H2+) is the simplest such molecule, dissociating into a hydrogen atom and a proton.
• Electron localization is a fundamental aspect of chemical bond breaking.

Purpose of the Study:

• To observe and measure the real-time dynamics of electron localization during H2+ dissociation.
• To determine the timescale and internuclear distance at which electron localization is complete in H2+.

Main Methods:

• A pump-probe experimental technique was employed to monitor the dissociation process.
• Time-dependent Schrödinger equation was numerically solved to support experimental observations.

Main Results:

• Electron localization in H2+ was observed in real time.
• Complete electron localization was measured to occur within 15 femtoseconds.
• Localization was complete when the internuclear distance reached 8 atomic units.

Conclusions:

• The study provides direct experimental evidence of electron localization during molecular dissociation.
• This observation advances the understanding of fundamental chemical processes at the molecular level.
• Real-time observation of electron localization in H2+ offers insights into quantum dynamics.