Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl@(He)

To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, 4 He N , arising from the photodissociation of Cl 2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets...

Full description

Saved in:
Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2016-01, Vol.18 (4), p.249-2416
Main Authors: Vilà, Arnau, González, Miguel, Mayol, Ricardo
Format: Article
Language:
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by
cites
container_end_page 2416
container_issue 4
container_start_page 249
container_title Physical chemistry chemical physics : PCCP
container_volume 18
creator Vilà, Arnau
González, Miguel
Mayol, Ricardo
description To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, 4 He N , arising from the photodissociation of Cl 2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets of different sizes ( N = 50, 100, 200, 300 and 500), extending a previous study which was centered on the photodissociation step. The relaxation process takes place in the timescale of several hundred picoseconds and a simple dependence of this process on time has been found. The results have been satisfactorily analyzed in terms of a phenomenological model proposed here and also by applying the Rice-Ramsperger-Kassel (RRK) statistical chemical kinetic model for unimolecular reactions. From what we know, this is the first time that the dynamics of these de-excitation processes has been studied, opening up a window for understanding them. We expect that this work will encourage further research on this little known but interesting phenomenon. The quantum (TDDFT) dynamics of the relaxation process (Δ t ∼ 500 ps) of excited helium nanodroplets was studied for the first time.
doi_str_mv 10.1039/c5cp02679b
format article
fullrecord <record><control><sourceid>rsc</sourceid><recordid>TN_cdi_rsc_primary_c5cp02679b</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>c5cp02679b</sourcerecordid><originalsourceid>FETCH-rsc_primary_c5cp02679b3</originalsourceid><addsrcrecordid>eNqFj81LAzEUxIMoWD8u3oV31ENr4rZb9yYUpWfpvTyTt2wkyQt5WbBH_3NXFD16moGZ38AodWX0wuimu7Mrm_V9u-5ej9TMLNtm3umH5fGvX7en6kzkTWttVqaZqY8XCviO1XMCd0gYvRXgHgYKfoyQMLErnANVAewrFcgDV3ZehK3_5qY6guOMqcLAkdNoA2EBN-U8DULkQHYMtIDdQGBR6IvZhMebLd1eqJMeg9Dlj56r6-en3WY7L2L3ufiI5bD_-9X8l38CyVpTGQ</addsrcrecordid><sourcetype>Publisher</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl@(He)</title><source>Royal Society of Chemistry</source><creator>Vilà, Arnau ; González, Miguel ; Mayol, Ricardo</creator><creatorcontrib>Vilà, Arnau ; González, Miguel ; Mayol, Ricardo</creatorcontrib><description>To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, 4 He N , arising from the photodissociation of Cl 2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets of different sizes ( N = 50, 100, 200, 300 and 500), extending a previous study which was centered on the photodissociation step. The relaxation process takes place in the timescale of several hundred picoseconds and a simple dependence of this process on time has been found. The results have been satisfactorily analyzed in terms of a phenomenological model proposed here and also by applying the Rice-Ramsperger-Kassel (RRK) statistical chemical kinetic model for unimolecular reactions. From what we know, this is the first time that the dynamics of these de-excitation processes has been studied, opening up a window for understanding them. We expect that this work will encourage further research on this little known but interesting phenomenon. The quantum (TDDFT) dynamics of the relaxation process (Δ t ∼ 500 ps) of excited helium nanodroplets was studied for the first time.</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/c5cp02679b</identifier><ispartof>Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.249-2416</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Vilà, Arnau</creatorcontrib><creatorcontrib>González, Miguel</creatorcontrib><creatorcontrib>Mayol, Ricardo</creatorcontrib><title>Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl@(He)</title><title>Physical chemistry chemical physics : PCCP</title><description>To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, 4 He N , arising from the photodissociation of Cl 2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets of different sizes ( N = 50, 100, 200, 300 and 500), extending a previous study which was centered on the photodissociation step. The relaxation process takes place in the timescale of several hundred picoseconds and a simple dependence of this process on time has been found. The results have been satisfactorily analyzed in terms of a phenomenological model proposed here and also by applying the Rice-Ramsperger-Kassel (RRK) statistical chemical kinetic model for unimolecular reactions. From what we know, this is the first time that the dynamics of these de-excitation processes has been studied, opening up a window for understanding them. We expect that this work will encourage further research on this little known but interesting phenomenon. The quantum (TDDFT) dynamics of the relaxation process (Δ t ∼ 500 ps) of excited helium nanodroplets was studied for the first time.</description><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><sourceid/><recordid>eNqFj81LAzEUxIMoWD8u3oV31ENr4rZb9yYUpWfpvTyTt2wkyQt5WbBH_3NXFD16moGZ38AodWX0wuimu7Mrm_V9u-5ej9TMLNtm3umH5fGvX7en6kzkTWttVqaZqY8XCviO1XMCd0gYvRXgHgYKfoyQMLErnANVAewrFcgDV3ZehK3_5qY6guOMqcLAkdNoA2EBN-U8DULkQHYMtIDdQGBR6IvZhMebLd1eqJMeg9Dlj56r6-en3WY7L2L3ufiI5bD_-9X8l38CyVpTGQ</recordid><startdate>20160120</startdate><enddate>20160120</enddate><creator>Vilà, Arnau</creator><creator>González, Miguel</creator><creator>Mayol, Ricardo</creator><scope/></search><sort><creationdate>20160120</creationdate><title>Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl@(He)</title><author>Vilà, Arnau ; González, Miguel ; Mayol, Ricardo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-rsc_primary_c5cp02679b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><creationdate>2016</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Vilà, Arnau</creatorcontrib><creatorcontrib>González, Miguel</creatorcontrib><creatorcontrib>Mayol, Ricardo</creatorcontrib><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Vilà, Arnau</au><au>González, Miguel</au><au>Mayol, Ricardo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl@(He)</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><date>2016-01-20</date><risdate>2016</risdate><volume>18</volume><issue>4</issue><spage>249</spage><epage>2416</epage><pages>249-2416</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, 4 He N , arising from the photodissociation of Cl 2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets of different sizes ( N = 50, 100, 200, 300 and 500), extending a previous study which was centered on the photodissociation step. The relaxation process takes place in the timescale of several hundred picoseconds and a simple dependence of this process on time has been found. The results have been satisfactorily analyzed in terms of a phenomenological model proposed here and also by applying the Rice-Ramsperger-Kassel (RRK) statistical chemical kinetic model for unimolecular reactions. From what we know, this is the first time that the dynamics of these de-excitation processes has been studied, opening up a window for understanding them. We expect that this work will encourage further research on this little known but interesting phenomenon. The quantum (TDDFT) dynamics of the relaxation process (Δ t ∼ 500 ps) of excited helium nanodroplets was studied for the first time.</abstract><doi>10.1039/c5cp02679b</doi><tpages>8</tpages></addata></record>
fulltext fulltext
identifier ISSN: 1463-9076
ispartof Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.249-2416
issn 1463-9076
1463-9084
language
recordid cdi_rsc_primary_c5cp02679b
source Royal Society of Chemistry
title Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl@(He)
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-03T18%3A36%3A04IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-rsc&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Relaxation%20dynamics%20of%20helium%20nanodroplets%20after%20photodissociation%20of%20a%20dopant%20homonuclear%20diatomic%20molecule.%20The%20case%20of%20Cl@(He)&rft.jtitle=Physical%20chemistry%20chemical%20physics%20:%20PCCP&rft.au=Vil%C3%A0,%20Arnau&rft.date=2016-01-20&rft.volume=18&rft.issue=4&rft.spage=249&rft.epage=2416&rft.pages=249-2416&rft.issn=1463-9076&rft.eissn=1463-9084&rft_id=info:doi/10.1039/c5cp02679b&rft_dat=%3Crsc%3Ec5cp02679b%3C/rsc%3E%3Cgrp_id%3Ecdi_FETCH-rsc_primary_c5cp02679b3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true