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Title: Atomic autoionization in the photo-dissociation of super-excited deuterated water molecules fragmenting into D+ + O+ + D

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI:https://doi.org/10.1039/d3cp02438e· OSTI ID:1995987
ORCiD logo [1];  [1];  [2];  [3];  [4];  [5];  [5];  [6];  [6];  [5]; ORCiD logo [6]; ORCiD logo [1]; ORCiD logo [1]
  1. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
  2. Univ. of California, Davis, CA (United States)
  3. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
  4. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of Nevada, Reno, NV (United States)
  5. Univ. of Nevada, Reno, NV (United States)
  6. Kansas State Univ., Manhattan, KS (United States)
+ Show Author Affiliations

We present the relaxation dynamics of deuterated water molecules via autoionization, initiated by the absorption of a 61 eV photon, producing the very rare D+ + O+ + D breakup channel. We employ the COLd target recoil ion momentum spectroscopy method to measure the 3D momenta of the ionic fragments and emitted electrons from the dissociating molecule in coincidence. We interpret the results using the potential energy surfaces extracted from multi-reference configuration interaction calculations. The measured particle energy distributions can be related to a super-excited monocationic state located above the double ionization threshold of D2O. The autoionized electron energy shows a sharp distribution centered around 0.5 eV, which is a signature of the atomic oxygen autoionization occurring in the direct and sequential dissociation processes of D2O+* at a large internuclear distance. In this way, an O+ radical fragment and a low-energy electron are created, both of which can trigger secondary reactions in their environment.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); National Sciences Foundation; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); USDOE
Grant/Contract Number:
AC02-05CH11231; FG02-86ER13491; NSF-1807017; BES-ERCAP-0020143; BES-ERCAP-0019776
OSTI ID:
1995987
Alternate ID(s):
OSTI ID: 1994000
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Vol. 25, Issue 32; ISSN 1463-9076
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

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