Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO

Shanyu Han; Xianfeng Zheng; Steve A. Ndengue; Yu Song; Richard Dawes

doi:10.1126/sciadv.aau0582

Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO

Shanyu Han
, Xianfeng Zheng
, Steve A. Ndengue
, Yu Song
, Richard Dawes

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

First-principles treatments of quantum molecular reaction dynamics have reached the level of quantitative accuracy even in cases with strong non-Born-Oppenheimer effects. This achievement permits the interpretation of puzzling experimental phenomena related to dynamics governed by multiple coupled potential energy surfaces. We present a combined experimental and theoretical study of the photodissociation of formyl radical (HCO). Oscillations observed in the distribution of product states are found to arise from the interference of matter waves-a manifestation analogous to Young's double-slit experiment.

Original language	American English
Journal	Science Advances
Volume	5
DOIs	https://doi.org/10.1126/sciadv.aau0582
State	Published - Jan 1 2019

Keywords

First principles
Formyl radicals
Molecular reaction dynamics
Non-Born-Oppenheimer effects
Quantitative accuracy
Quantum chemistry, Bond breaking reactions
Theoretical study
Young's double slit experiments, Potential energy

Disciplines

Chemistry

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title = "Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO",

abstract = " First-principles treatments of quantum molecular reaction dynamics have reached the level of quantitative accuracy even in cases with strong non-Born-Oppenheimer effects. This achievement permits the interpretation of puzzling experimental phenomena related to dynamics governed by multiple coupled potential energy surfaces. We present a combined experimental and theoretical study of the photodissociation of formyl radical (HCO). Oscillations observed in the distribution of product states are found to arise from the interference of matter waves-a manifestation analogous to Young's double-slit experiment.",

keywords = "First principles, Formyl radicals, Molecular reaction dynamics, Non-Born-Oppenheimer effects, Quantitative accuracy, Quantum chemistry, Bond breaking reactions, Theoretical study, Young's double slit experiments, Potential energy",

author = "Shanyu Han and Xianfeng Zheng and Ndengue, \{Steve A.\} and Yu Song and Richard Dawes",

year = "2019",

month = jan,

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doi = "10.1126/sciadv.aau0582",

language = "American English",

volume = "5",

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T1 - Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO

AU - Han, Shanyu

AU - Zheng, Xianfeng

AU - Ndengue, Steve A.

AU - Song, Yu

AU - Dawes, Richard

PY - 2019/1/1

Y1 - 2019/1/1

N2 - First-principles treatments of quantum molecular reaction dynamics have reached the level of quantitative accuracy even in cases with strong non-Born-Oppenheimer effects. This achievement permits the interpretation of puzzling experimental phenomena related to dynamics governed by multiple coupled potential energy surfaces. We present a combined experimental and theoretical study of the photodissociation of formyl radical (HCO). Oscillations observed in the distribution of product states are found to arise from the interference of matter waves-a manifestation analogous to Young's double-slit experiment.

AB - First-principles treatments of quantum molecular reaction dynamics have reached the level of quantitative accuracy even in cases with strong non-Born-Oppenheimer effects. This achievement permits the interpretation of puzzling experimental phenomena related to dynamics governed by multiple coupled potential energy surfaces. We present a combined experimental and theoretical study of the photodissociation of formyl radical (HCO). Oscillations observed in the distribution of product states are found to arise from the interference of matter waves-a manifestation analogous to Young's double-slit experiment.

KW - First principles

KW - Formyl radicals

KW - Molecular reaction dynamics

KW - Non-Born-Oppenheimer effects

KW - Quantitative accuracy

KW - Quantum chemistry, Bond breaking reactions

KW - Theoretical study

KW - Young's double slit experiments, Potential energy

UR - https://scholarsmine.mst.edu/chem_facwork/2927

U2 - 10.1126/sciadv.aau0582

DO - 10.1126/sciadv.aau0582

M3 - Article

C2 - 30613767

SN - 2375-2548

VL - 5

JO - Science Advances

JF - Science Advances

ER -

Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO

Abstract

Keywords

Disciplines

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