Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO-D Bond Dissociation Energy

被引：10

作者：

Kumar, Sarvesh ^{[1
,2
]}

Hoshino, Masamitsu ^{[3
]}

Kerkeni, Boutheina ^{[4
,5
]}

Garcia, Gustavo ^{[6
]}

Limao-Vieira, Paulo ^{[1
]}

机构：

[1] Univ NOVA Lisboa, Dept Phys, Atom & Mol Collis Lab, CEFITEC, P-2829516 Caparica, Portugal

[2] Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA

[3] Sophia Univ, Dept Mat & Life Sci, Tokyo 1028554, Japan

[4] Univ Manouba, ISAMM, La Manouba 2010, Tunisia

[5] Univ Tunis el Manar, Dept Phys, LPMC, Fac Sci Tunis, Tunis 2092, Tunisia

[6] CSIC, Inst Fis Fundamental, Madrid 28006, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2023年 / 14卷 / 23期

基金：

瑞典研究理事会;

关键词：

CROSS-SECTIONS; IMPACT EXCITATION; WATER; ATTACHMENT; SCATTERING; SPECTROSCOPY; H2O; FRAGMENTATION; COLLISIONS; RESONANCES;

D O I：

10.1021/acs.jpclett.3c00786

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

H2O/D2O negative ion time-of-flightmassspectra from electron transfer processes at different collision energieswith neutral potassium yield OH-/OD-, O-, and H-/D-. The branching ratios show a relevant energy dependence with animportant isotope effect in D2O. Electronic state spectroscopyof water has been further investigated by recording potassium cationenergy loss spectra in the forward scattering direction at an impactenergy of 205 eV (lab frame), with quantum chemical calculations forthe lowest-lying unoccupied molecular orbitals in the presence ofa potassium atom supporting most of the experimental findings. TheDO-D bond dissociation energy has been determined for the firsttime to be 5.41 +/- 0.10 eV. The collision dynamics revealed thecharacter of the singly excited (1b(2) (-1)) molecular orbital and doubly excited states in such K-H2O and K-D2O collisions.

引用

页码：5362 / 5369

页数：8

共 74 条

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