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

Autor:	Ashwani K. Tiwari, Deepak Mathur, Aditya K. Dharmadhikari, Diptesh Dey, Krithika Dota, J. A. Dharmadhikari, Sankar De, Parinda Vasa
Rok vydání:	2015
Předmět:	Physics Molecular dynamics Chemical bond Fragmentation (mass spectrometry) Ab initio quantum chemistry methods Chemical physics Photodissociation General Physics and Astronomy Molecule Physical and Theoretical Chemistry Atomic physics Potential energy Dissociation (chemistry)
Zdroj:	The Journal of Chemical Physics. 143:244310
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.4938500
Popis:	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(+), and HOD(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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5189b07f6fcf69b3a3b0929198394ba https://doi.org/10.1063/1.4938500 Zobrazit plný text záznamu