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Title: Selective breaking of bonds in water with intense, 2-cycle, infrared laser pulses

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.
Authors:
;  [1] ;  [1] ;  [2] ; ;  [3] ;  [4] ;  [5] ;  [6]
  1. Tata Institute of Fundamental Research, 1 Homi Bhabha Road, Mumbai 400 005 (India)
  2. (India)
  3. Indian Institute of Science Education and Research Kolkata, Mohanpur 741 246 (India)
  4. Centre for Atomic and Molecular Physics, Manipal University, Manipal 576 104 (India)
  5. Saha Institute of Nuclear Physics, Bidhan Nagar, Kolkata 700 064 (India)
  6. Department of Physics, Indian Institute of Technology Bombay, Mumbai 400 076 (India)
Publication Date:
OSTI Identifier:
22493409
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 24; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 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