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Author Mathur, D. ♦ Dharmadhikari, A. K. ♦ Dota, K. ♦ Dey, D. ♦ Tiwari, A. K. ♦ Dharmadhikari, J. A. ♦ De, S. ♦ Vasa, P.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ ADIABATIC PROCESSES ♦ CHEMICAL BONDS ♦ CHEMICAL PHYSICS ♦ CHEMISTRY ♦ DISSOCIATION ♦ EXPLORATION ♦ FRAGMENTATION ♦ GAIN ♦ HEAVY WATER ♦ HYDROGEN ♦ MASS SPECTROSCOPY ♦ MOLECULAR DYNAMICS METHOD ♦ MOLECULES ♦ OXYGEN ♦ POTENTIAL ENERGY ♦ RUPTURES ♦ SURFACES ♦ TIME DEPENDENCE ♦ VISIBLE RADIATION
Abstract One of the holy grails of contemporary science has been to establish the possibility of preferentially breaking one of several bonds in a molecule. For instance, the two O–H bonds in water are equivalent: given sufficient energy, either one of them is equally likely to break. We report bond-selective molecular fragmentation upon application of intense, 2-cycle pulses of 800 nm laser light: we demonstrate up to three-fold enhancement for preferential bond breaking in isotopically substituted water (HOD). Our experimental observations are rationalized by means of ab initio computations of the potential energy surfaces of HOD, HOD{sup +}, and HOD{sup 2+} and explorations of the dissociation limits resulting from either O–H or O–D bond rupture. The observations we report present a formidable theoretical challenge that need to be taken up in order to gain insights into molecular dynamics, strong field physics, chemical physics, non-adiabatic processes, mass spectrometry, and time-dependent quantum chemistry.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-12-28
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 143
Issue Number 24


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