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Electron spectroscopy and dynamics of HBr around the Br 1s −1 threshold
A comprehensive electron spectroscopic study combined with partial electron yield measurements around the Br 1s ionization threshold of HBr at ≅13.482 keV is reported. In detail, the Br 1s −1 X-ray absorption spectrum, the 1s −1 photoelectron spectrum as well as the normal and resonant KLL Auger spe...
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| Published in: | Physical chemistry chemical physics : PCCP 2020-12, Vol.22 (46), p.26806-26818 |
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| creator | Boudjemia, Nacer Jänkälä, Kari Püttner, Ralph Marchenko, Tatiana Travnikova, Oksana Guillemin, Renaud Journel, Loïc Ismail, Iyas Koulentianos, Dimitris Kosugi, Satoshi Azuma, Yoshiro Patanen, Minna Huttula, Marko Céolin, Denis Piancastelli, Maria Novella Simon, Marc |
| description | A comprehensive electron spectroscopic study combined with partial electron yield measurements around the Br 1s ionization threshold of HBr at ≅13.482 keV is reported. In detail, the Br 1s
−1
X-ray absorption spectrum, the 1s
−1
photoelectron spectrum as well as the normal and resonant KLL Auger spectra are presented. Moreover, the L-shell Auger spectra measured with photon energies below and above the Br 1s
−1
ionization energy as well as on top of the Br 1s
−1
σ* resonance are shown. The latter two Auger spectra represent the second step of the decay cascade subsequent to producing a Br 1s
−1
core hole. The measurements provide information on the electron and nuclear dynamics of deep core-excited states of HBr on the femtosecond timescale. From the different spectra the lifetime broadening of the Br 1s
−1
single core-hole state as well as of the Br(2s
−2
,2s
−1
2p
−1
,2p
−2
) double core-hole states are extracted and discussed. The slope of the strongly dissociative HBr 2p
−2
σ* potential energy curve is found to be about −13.60 eV Å
−1
. The interpretation of the experimental data, and in particular the assignment of the spectral features in the KLL and L-shell Auger spectra, is supported by relativistic calculations for HBr molecule and atomic Br. |
| doi_str_mv | 10.1039/d0cp04787b |
| format | article |
| fullrecord | <record><control><sourceid>proquest_swepu</sourceid><recordid>TN_cdi_swepub_primary_oai_DiVA_org_uu_431451</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2468380678</sourcerecordid><originalsourceid>FETCH-LOGICAL-c366t-c3bfc845ee9e40eb847a4879b02902bf41ab4b6abf6668d606953d8faa7cac303</originalsourceid><addsrcrecordid>eNpd0c1KAzEQAOAgCtbqxSdY8KJidbLJZrPH_mmFgh7Ua0iyWbtlu1mTrtI38Owj-iSmrRT0kswMH2Emg9AphmsMJLvJQTdAU56qPdTBlJFeBpzu7-KUHaIj7-cAgBNMOuh-XBm9dLaOfLMJvLbNKpJ1HuWrWi5K7SNbRJOBi6SzbSgvZyYKGfbR9-cXDqkzfmar_BgdFLLy5uT37qLn2_HTcNKbPtzdD_vTniaMLcOpCs1pYkxmKBjFaSopTzMFcQaxKiiWiiomVcEY4zkDliUk54WUqZaaAOmiq-27_sM0rRKNKxfSrYSVpRiVL31h3atoW0EJpmHELrrY8pms_thJfyrWNSCQEJri97U939rG2bfW-KVYlF6bqpK1sa0XMWUU05hgFujZPzq3ravD4GvFCQeW8qAut0qHj_XOFLsOMIj1wsQIho-bhQ3IDwZfht8</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2468380678</pqid></control><display><type>article</type><title>Electron spectroscopy and dynamics of HBr around the Br 1s −1 threshold</title><source>Royal Society of Chemistry Journals</source><creator>Boudjemia, Nacer ; Jänkälä, Kari ; Püttner, Ralph ; Marchenko, Tatiana ; Travnikova, Oksana ; Guillemin, Renaud ; Journel, Loïc ; Ismail, Iyas ; Koulentianos, Dimitris ; Kosugi, Satoshi ; Azuma, Yoshiro ; Patanen, Minna ; Huttula, Marko ; Céolin, Denis ; Piancastelli, Maria Novella ; Simon, Marc</creator><creatorcontrib>Boudjemia, Nacer ; Jänkälä, Kari ; Püttner, Ralph ; Marchenko, Tatiana ; Travnikova, Oksana ; Guillemin, Renaud ; Journel, Loïc ; Ismail, Iyas ; Koulentianos, Dimitris ; Kosugi, Satoshi ; Azuma, Yoshiro ; Patanen, Minna ; Huttula, Marko ; Céolin, Denis ; Piancastelli, Maria Novella ; Simon, Marc</creatorcontrib><description>A comprehensive electron spectroscopic study combined with partial electron yield measurements around the Br 1s ionization threshold of HBr at ≅13.482 keV is reported. In detail, the Br 1s
−1
X-ray absorption spectrum, the 1s
−1
photoelectron spectrum as well as the normal and resonant KLL Auger spectra are presented. Moreover, the L-shell Auger spectra measured with photon energies below and above the Br 1s
−1
ionization energy as well as on top of the Br 1s
−1
σ* resonance are shown. The latter two Auger spectra represent the second step of the decay cascade subsequent to producing a Br 1s
−1
core hole. The measurements provide information on the electron and nuclear dynamics of deep core-excited states of HBr on the femtosecond timescale. From the different spectra the lifetime broadening of the Br 1s
−1
single core-hole state as well as of the Br(2s
−2
,2s
−1
2p
−1
,2p
−2
) double core-hole states are extracted and discussed. The slope of the strongly dissociative HBr 2p
−2
σ* potential energy curve is found to be about −13.60 eV Å
−1
. The interpretation of the experimental data, and in particular the assignment of the spectral features in the KLL and L-shell Auger spectra, is supported by relativistic calculations for HBr molecule and atomic Br.</description><identifier>ISSN: 1463-9076</identifier><identifier>ISSN: 1463-9084</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/d0cp04787b</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Absorption spectra ; Augers ; Chemical Sciences ; Crystallography ; Electron spectroscopy ; Ionization ; or physical chemistry ; Photoelectrons ; Potential energy ; Spectrum analysis ; Theoretical and ; X ray absorption</subject><ispartof>Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.26806-26818</ispartof><rights>Copyright Royal Society of Chemistry 2020</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c366t-c3bfc845ee9e40eb847a4879b02902bf41ab4b6abf6668d606953d8faa7cac303</citedby><cites>FETCH-LOGICAL-c366t-c3bfc845ee9e40eb847a4879b02902bf41ab4b6abf6668d606953d8faa7cac303</cites><orcidid>0000-0002-5499-4659 ; 0000-0002-8761-6873 ; 0000-0002-2970-7494 ; 0000-0002-1917-1972 ; 0000-0002-4032-3125 ; 0000-0001-8044-5437 ; 0000-0003-3303-7494 ; 0000-0002-2525-5435 ; 0000-0001-9504-3692 ; 0000-0002-5660-137X ; 0000-0002-9015-3339 ; 0000-0003-2007-6419</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27924,27925</link.rule.ids><backlink>$$Uhttps://hal.science/hal-03053471$$DView record in HAL$$Hfree_for_read</backlink><backlink>$$Uhttps://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-431451$$DView record from Swedish Publication Index$$Hfree_for_read</backlink></links><search><creatorcontrib>Boudjemia, Nacer</creatorcontrib><creatorcontrib>Jänkälä, Kari</creatorcontrib><creatorcontrib>Püttner, Ralph</creatorcontrib><creatorcontrib>Marchenko, Tatiana</creatorcontrib><creatorcontrib>Travnikova, Oksana</creatorcontrib><creatorcontrib>Guillemin, Renaud</creatorcontrib><creatorcontrib>Journel, Loïc</creatorcontrib><creatorcontrib>Ismail, Iyas</creatorcontrib><creatorcontrib>Koulentianos, Dimitris</creatorcontrib><creatorcontrib>Kosugi, Satoshi</creatorcontrib><creatorcontrib>Azuma, Yoshiro</creatorcontrib><creatorcontrib>Patanen, Minna</creatorcontrib><creatorcontrib>Huttula, Marko</creatorcontrib><creatorcontrib>Céolin, Denis</creatorcontrib><creatorcontrib>Piancastelli, Maria Novella</creatorcontrib><creatorcontrib>Simon, Marc</creatorcontrib><title>Electron spectroscopy and dynamics of HBr around the Br 1s −1 threshold</title><title>Physical chemistry chemical physics : PCCP</title><description>A comprehensive electron spectroscopic study combined with partial electron yield measurements around the Br 1s ionization threshold of HBr at ≅13.482 keV is reported. In detail, the Br 1s
−1
X-ray absorption spectrum, the 1s
−1
photoelectron spectrum as well as the normal and resonant KLL Auger spectra are presented. Moreover, the L-shell Auger spectra measured with photon energies below and above the Br 1s
−1
ionization energy as well as on top of the Br 1s
−1
σ* resonance are shown. The latter two Auger spectra represent the second step of the decay cascade subsequent to producing a Br 1s
−1
core hole. The measurements provide information on the electron and nuclear dynamics of deep core-excited states of HBr on the femtosecond timescale. From the different spectra the lifetime broadening of the Br 1s
−1
single core-hole state as well as of the Br(2s
−2
,2s
−1
2p
−1
,2p
−2
) double core-hole states are extracted and discussed. The slope of the strongly dissociative HBr 2p
−2
σ* potential energy curve is found to be about −13.60 eV Å
−1
. The interpretation of the experimental data, and in particular the assignment of the spectral features in the KLL and L-shell Auger spectra, is supported by relativistic calculations for HBr molecule and atomic Br.</description><subject>Absorption spectra</subject><subject>Augers</subject><subject>Chemical Sciences</subject><subject>Crystallography</subject><subject>Electron spectroscopy</subject><subject>Ionization</subject><subject>or physical chemistry</subject><subject>Photoelectrons</subject><subject>Potential energy</subject><subject>Spectrum analysis</subject><subject>Theoretical and</subject><subject>X ray absorption</subject><issn>1463-9076</issn><issn>1463-9084</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNpd0c1KAzEQAOAgCtbqxSdY8KJidbLJZrPH_mmFgh7Ua0iyWbtlu1mTrtI38Owj-iSmrRT0kswMH2Emg9AphmsMJLvJQTdAU56qPdTBlJFeBpzu7-KUHaIj7-cAgBNMOuh-XBm9dLaOfLMJvLbNKpJ1HuWrWi5K7SNbRJOBi6SzbSgvZyYKGfbR9-cXDqkzfmar_BgdFLLy5uT37qLn2_HTcNKbPtzdD_vTniaMLcOpCs1pYkxmKBjFaSopTzMFcQaxKiiWiiomVcEY4zkDliUk54WUqZaaAOmiq-27_sM0rRKNKxfSrYSVpRiVL31h3atoW0EJpmHELrrY8pms_thJfyrWNSCQEJri97U939rG2bfW-KVYlF6bqpK1sa0XMWUU05hgFujZPzq3ravD4GvFCQeW8qAut0qHj_XOFLsOMIj1wsQIho-bhQ3IDwZfht8</recordid><startdate>20201207</startdate><enddate>20201207</enddate><creator>Boudjemia, Nacer</creator><creator>Jänkälä, Kari</creator><creator>Püttner, Ralph</creator><creator>Marchenko, Tatiana</creator><creator>Travnikova, Oksana</creator><creator>Guillemin, Renaud</creator><creator>Journel, Loïc</creator><creator>Ismail, Iyas</creator><creator>Koulentianos, Dimitris</creator><creator>Kosugi, Satoshi</creator><creator>Azuma, Yoshiro</creator><creator>Patanen, Minna</creator><creator>Huttula, Marko</creator><creator>Céolin, Denis</creator><creator>Piancastelli, Maria Novella</creator><creator>Simon, Marc</creator><general>Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><scope>1XC</scope><scope>ACNBI</scope><scope>ADTPV</scope><scope>AOWAS</scope><scope>D8T</scope><scope>DF2</scope><scope>ZZAVC</scope><orcidid>https://orcid.org/0000-0002-5499-4659</orcidid><orcidid>https://orcid.org/0000-0002-8761-6873</orcidid><orcidid>https://orcid.org/0000-0002-2970-7494</orcidid><orcidid>https://orcid.org/0000-0002-1917-1972</orcidid><orcidid>https://orcid.org/0000-0002-4032-3125</orcidid><orcidid>https://orcid.org/0000-0001-8044-5437</orcidid><orcidid>https://orcid.org/0000-0003-3303-7494</orcidid><orcidid>https://orcid.org/0000-0002-2525-5435</orcidid><orcidid>https://orcid.org/0000-0001-9504-3692</orcidid><orcidid>https://orcid.org/0000-0002-5660-137X</orcidid><orcidid>https://orcid.org/0000-0002-9015-3339</orcidid><orcidid>https://orcid.org/0000-0003-2007-6419</orcidid></search><sort><creationdate>20201207</creationdate><title>Electron spectroscopy and dynamics of HBr around the Br 1s −1 threshold</title><author>Boudjemia, Nacer ; Jänkälä, Kari ; Püttner, Ralph ; Marchenko, Tatiana ; Travnikova, Oksana ; Guillemin, Renaud ; Journel, Loïc ; Ismail, Iyas ; Koulentianos, Dimitris ; Kosugi, Satoshi ; Azuma, Yoshiro ; Patanen, Minna ; Huttula, Marko ; Céolin, Denis ; Piancastelli, Maria Novella ; Simon, Marc</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c366t-c3bfc845ee9e40eb847a4879b02902bf41ab4b6abf6668d606953d8faa7cac303</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Absorption spectra</topic><topic>Augers</topic><topic>Chemical Sciences</topic><topic>Crystallography</topic><topic>Electron spectroscopy</topic><topic>Ionization</topic><topic>or physical chemistry</topic><topic>Photoelectrons</topic><topic>Potential energy</topic><topic>Spectrum analysis</topic><topic>Theoretical and</topic><topic>X ray absorption</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Boudjemia, Nacer</creatorcontrib><creatorcontrib>Jänkälä, Kari</creatorcontrib><creatorcontrib>Püttner, Ralph</creatorcontrib><creatorcontrib>Marchenko, Tatiana</creatorcontrib><creatorcontrib>Travnikova, Oksana</creatorcontrib><creatorcontrib>Guillemin, Renaud</creatorcontrib><creatorcontrib>Journel, Loïc</creatorcontrib><creatorcontrib>Ismail, Iyas</creatorcontrib><creatorcontrib>Koulentianos, Dimitris</creatorcontrib><creatorcontrib>Kosugi, Satoshi</creatorcontrib><creatorcontrib>Azuma, Yoshiro</creatorcontrib><creatorcontrib>Patanen, Minna</creatorcontrib><creatorcontrib>Huttula, Marko</creatorcontrib><creatorcontrib>Céolin, Denis</creatorcontrib><creatorcontrib>Piancastelli, Maria Novella</creatorcontrib><creatorcontrib>Simon, Marc</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><collection>Hyper Article en Ligne (HAL)</collection><collection>SWEPUB Uppsala universitet full text</collection><collection>SwePub</collection><collection>SwePub Articles</collection><collection>SWEPUB Freely available online</collection><collection>SWEPUB Uppsala universitet</collection><collection>SwePub Articles full text</collection><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Boudjemia, Nacer</au><au>Jänkälä, Kari</au><au>Püttner, Ralph</au><au>Marchenko, Tatiana</au><au>Travnikova, Oksana</au><au>Guillemin, Renaud</au><au>Journel, Loïc</au><au>Ismail, Iyas</au><au>Koulentianos, Dimitris</au><au>Kosugi, Satoshi</au><au>Azuma, Yoshiro</au><au>Patanen, Minna</au><au>Huttula, Marko</au><au>Céolin, Denis</au><au>Piancastelli, Maria Novella</au><au>Simon, Marc</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electron spectroscopy and dynamics of HBr around the Br 1s −1 threshold</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><date>2020-12-07</date><risdate>2020</risdate><volume>22</volume><issue>46</issue><spage>26806</spage><epage>26818</epage><pages>26806-26818</pages><issn>1463-9076</issn><issn>1463-9084</issn><eissn>1463-9084</eissn><abstract>A comprehensive electron spectroscopic study combined with partial electron yield measurements around the Br 1s ionization threshold of HBr at ≅13.482 keV is reported. In detail, the Br 1s
−1
X-ray absorption spectrum, the 1s
−1
photoelectron spectrum as well as the normal and resonant KLL Auger spectra are presented. Moreover, the L-shell Auger spectra measured with photon energies below and above the Br 1s
−1
ionization energy as well as on top of the Br 1s
−1
σ* resonance are shown. The latter two Auger spectra represent the second step of the decay cascade subsequent to producing a Br 1s
−1
core hole. The measurements provide information on the electron and nuclear dynamics of deep core-excited states of HBr on the femtosecond timescale. From the different spectra the lifetime broadening of the Br 1s
−1
single core-hole state as well as of the Br(2s
−2
,2s
−1
2p
−1
,2p
−2
) double core-hole states are extracted and discussed. The slope of the strongly dissociative HBr 2p
−2
σ* potential energy curve is found to be about −13.60 eV Å
−1
. The interpretation of the experimental data, and in particular the assignment of the spectral features in the KLL and L-shell Auger spectra, is supported by relativistic calculations for HBr molecule and atomic Br.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d0cp04787b</doi><tpages>13</tpages><orcidid>https://orcid.org/0000-0002-5499-4659</orcidid><orcidid>https://orcid.org/0000-0002-8761-6873</orcidid><orcidid>https://orcid.org/0000-0002-2970-7494</orcidid><orcidid>https://orcid.org/0000-0002-1917-1972</orcidid><orcidid>https://orcid.org/0000-0002-4032-3125</orcidid><orcidid>https://orcid.org/0000-0001-8044-5437</orcidid><orcidid>https://orcid.org/0000-0003-3303-7494</orcidid><orcidid>https://orcid.org/0000-0002-2525-5435</orcidid><orcidid>https://orcid.org/0000-0001-9504-3692</orcidid><orcidid>https://orcid.org/0000-0002-5660-137X</orcidid><orcidid>https://orcid.org/0000-0002-9015-3339</orcidid><orcidid>https://orcid.org/0000-0003-2007-6419</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1463-9076 |
| ispartof | Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.26806-26818 |
| issn | 1463-9076 1463-9084 1463-9084 |
| language | eng |
| recordid | cdi_swepub_primary_oai_DiVA_org_uu_431451 |
| source | Royal Society of Chemistry Journals |
| subjects | Absorption spectra Augers Chemical Sciences Crystallography Electron spectroscopy Ionization or physical chemistry Photoelectrons Potential energy Spectrum analysis Theoretical and X ray absorption |
| title | Electron spectroscopy and dynamics of HBr around the Br 1s −1 threshold |
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