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SUMMARY:Phase or Faith: The Molecular Aharanov-Bohm Effect in Unimolecular
  Reactions
DTSTART:20200114T160000
DTEND:20200114T170000
DTSTAMP:20260916T054953Z
UID:a889e84c0af1559d32aeac437684c8424c65a2a4d442976604eb486e
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Hua Guo\, Distinguished Professor\, University of New Me
 xico\nIt is a standard practice in chemistry to consider reaction dynamics
  as nuclear motion on an adiabatic potential energy surface based on the B
 orn-Oppenheimer approximation. This approximation\, which forms a cornerst
 one of modern chemistry\, rests on the large disparity between electronic 
 and nuclear masses. However\, it also engenders a geometric phase in elect
 ronic wavefunction when encircling a conical intersection. While non-adiab
 atic transitions are known to occur between different adiabatic states nea
 r a conical intersection in such processes as internal conversion\, it is 
 still commonly believed that the adiabatic dynamics can be reasonably appr
 oximated by this single-state adiabatic model. We demonstrate that adiabat
 ic dynamics of photodissociation and unimolecular reactions can be strongl
 y influenced by the geometric phase associated with a conical intersection
  along the reaction pathway\, even when the energy is much lower than the 
 crossing point. This so-called molecular Aharonov-Bohm effect can be thoug
 ht as a quantum interference\, which can significantly affect not only the
  tunneling lifetimes\, but also product state distributions. These results
  suggest important caveats to adiabatic treatments of reaction dynamics.\n
 \nReferences\n\n1.           Xie C.\, Ma J.\, Zhu X.\, Yarkony D
 . R.\, Xie D.\, Guo H. Nonadiabatic tunneling in photodissociation of phen
 ol. J. Am. Chem. Soc. 138\, 7828-7831 (2016).\n2.           Xie 
 C.\, Malbon C. L.\, Yarkony D. R.\, Xie D.\, Guo H. Signatures of a conica
 l intersection in adiabatic dissociation on the ground electronic state. J
 . Am. Chem. Soc. 140\, 1986-1989 (2018).\n3.           Xie C.\, 
 Malbon C. L.\, Guo H.\, Yarkony D. R. Up to a sign. The insidious effects 
 of energetically inaccessible conical intersections on unimolecular reacti
 ons. Acc. Chem. Res. 52\, 501-509 (2019).\n 
LOCATION:BCH 3118 https://plan.epfl.ch/?room==BCH%203118
STATUS:CONFIRMED
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