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The Valence XPS Structure and the Nature of Chemical Bond in CmO2
In the approximation of the relativistic discrete variation method, the valence X-ray photoelectron spectrum of CmO 2 was calculated, and satisfactory agreement with the structure of the experimental spectrum was found. It was shown that the structure of the spectrum is due to the electrons of the o...
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| Published in: | Radiochemistry (New York, N.Y.) N.Y.), 2021-08, Vol.63 (4), p.401-412 |
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| Main Authors: | , , , , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c246t-99eb861c249304c9fe89b3099cd8f0aecbb540b490df4855d0fe3a2cf24d20d43 |
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| cites | cdi_FETCH-LOGICAL-c246t-99eb861c249304c9fe89b3099cd8f0aecbb540b490df4855d0fe3a2cf24d20d43 |
| container_end_page | 412 |
| container_issue | 4 |
| container_start_page | 401 |
| container_title | Radiochemistry (New York, N.Y.) |
| container_volume | 63 |
| creator | Putkov, A. E. Teterin, Yu. A. Ryzhkov, M. V. Maslakov, K. I. Teterin, A. Yu Ivanov, K. E. Kalmykov, S. N. Petrov, V. G. |
| description | In the approximation of the relativistic discrete variation method, the valence X-ray photoelectron spectrum of CmO
2
was calculated, and satisfactory agreement with the structure of the experimental spectrum was found. It was shown that the structure of the spectrum is due to the electrons of the outer (from 0 to ~15 eV) and inner (from ~15 to ~35 eV) valence molecular orbitals, which leads to an increase in the covalency of the chemical bond in CmO
2
. The effective charge of curium in CmO
2
was determined, and the contribution of various electrons to the chemical bond was evaluated. A semiempirical scheme of molecular orbitals for CmO
2
was constructed. |
| doi_str_mv | 10.1134/S1066362221040020 |
| format | article |
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2
was calculated, and satisfactory agreement with the structure of the experimental spectrum was found. It was shown that the structure of the spectrum is due to the electrons of the outer (from 0 to ~15 eV) and inner (from ~15 to ~35 eV) valence molecular orbitals, which leads to an increase in the covalency of the chemical bond in CmO
2
. The effective charge of curium in CmO
2
was determined, and the contribution of various electrons to the chemical bond was evaluated. A semiempirical scheme of molecular orbitals for CmO
2
was constructed.</description><identifier>ISSN: 1066-3622</identifier><identifier>EISSN: 1608-3288</identifier><identifier>DOI: 10.1134/S1066362221040020</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Chemical bonds ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Curium ; Electrons ; Mathematical analysis ; Molecular orbitals ; Nuclear Chemistry ; Photoelectrons ; X ray photoelectron spectroscopy</subject><ispartof>Radiochemistry (New York, N.Y.), 2021-08, Vol.63 (4), p.401-412</ispartof><rights>Pleiades Publishing, Ltd. 2021</rights><rights>Pleiades Publishing, Ltd. 2021.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c246t-99eb861c249304c9fe89b3099cd8f0aecbb540b490df4855d0fe3a2cf24d20d43</citedby><cites>FETCH-LOGICAL-c246t-99eb861c249304c9fe89b3099cd8f0aecbb540b490df4855d0fe3a2cf24d20d43</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Putkov, A. E.</creatorcontrib><creatorcontrib>Teterin, Yu. A.</creatorcontrib><creatorcontrib>Ryzhkov, M. V.</creatorcontrib><creatorcontrib>Maslakov, K. I.</creatorcontrib><creatorcontrib>Teterin, A. Yu</creatorcontrib><creatorcontrib>Ivanov, K. E.</creatorcontrib><creatorcontrib>Kalmykov, S. N.</creatorcontrib><creatorcontrib>Petrov, V. G.</creatorcontrib><title>The Valence XPS Structure and the Nature of Chemical Bond in CmO2</title><title>Radiochemistry (New York, N.Y.)</title><addtitle>Radiochemistry</addtitle><description>In the approximation of the relativistic discrete variation method, the valence X-ray photoelectron spectrum of CmO
2
was calculated, and satisfactory agreement with the structure of the experimental spectrum was found. It was shown that the structure of the spectrum is due to the electrons of the outer (from 0 to ~15 eV) and inner (from ~15 to ~35 eV) valence molecular orbitals, which leads to an increase in the covalency of the chemical bond in CmO
2
. The effective charge of curium in CmO
2
was determined, and the contribution of various electrons to the chemical bond was evaluated. A semiempirical scheme of molecular orbitals for CmO
2
was constructed.</description><subject>Chemical bonds</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Curium</subject><subject>Electrons</subject><subject>Mathematical analysis</subject><subject>Molecular orbitals</subject><subject>Nuclear Chemistry</subject><subject>Photoelectrons</subject><subject>X ray photoelectron spectroscopy</subject><issn>1066-3622</issn><issn>1608-3288</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp1kEFLAzEQhYMoWKs_wFvA8-pkkk2TY120CsUKreJtyWYT29Lu1mT34L83tYIH8TQzfO-9gUfIJYNrxri4mTOQkktEZCAAEI7IgElQGUeljtOecLbnp-QsxjUAKCbVgIwXS0dfzcY11tG35zmdd6G3XR8cNU1Nu0SfzPfZelos3XZlzYbetomtGlpsZ3hOTrzZRHfxM4fk5f5uUTxk09nksRhPM4tCdpnWrlKSpUNzEFZ7p3TFQWtbKw_G2arKBVRCQ-2FyvMavOMGrUdRI9SCD8nVIXcX2o_exa5ct31o0ssS8xETI46AScUOKhvaGIPz5S6stiZ8lgzKfVPln6aSBw-emLTNuwu_yf-bvgDd6GeF</recordid><startdate>20210801</startdate><enddate>20210801</enddate><creator>Putkov, A. E.</creator><creator>Teterin, Yu. A.</creator><creator>Ryzhkov, M. V.</creator><creator>Maslakov, K. I.</creator><creator>Teterin, A. Yu</creator><creator>Ivanov, K. E.</creator><creator>Kalmykov, S. N.</creator><creator>Petrov, V. G.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20210801</creationdate><title>The Valence XPS Structure and the Nature of Chemical Bond in CmO2</title><author>Putkov, A. E. ; Teterin, Yu. A. ; Ryzhkov, M. V. ; Maslakov, K. I. ; Teterin, A. Yu ; Ivanov, K. E. ; Kalmykov, S. N. ; Petrov, V. G.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c246t-99eb861c249304c9fe89b3099cd8f0aecbb540b490df4855d0fe3a2cf24d20d43</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemical bonds</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Curium</topic><topic>Electrons</topic><topic>Mathematical analysis</topic><topic>Molecular orbitals</topic><topic>Nuclear Chemistry</topic><topic>Photoelectrons</topic><topic>X ray photoelectron spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Putkov, A. E.</creatorcontrib><creatorcontrib>Teterin, Yu. A.</creatorcontrib><creatorcontrib>Ryzhkov, M. V.</creatorcontrib><creatorcontrib>Maslakov, K. I.</creatorcontrib><creatorcontrib>Teterin, A. Yu</creatorcontrib><creatorcontrib>Ivanov, K. E.</creatorcontrib><creatorcontrib>Kalmykov, S. N.</creatorcontrib><creatorcontrib>Petrov, V. G.</creatorcontrib><collection>CrossRef</collection><jtitle>Radiochemistry (New York, N.Y.)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Putkov, A. E.</au><au>Teterin, Yu. A.</au><au>Ryzhkov, M. V.</au><au>Maslakov, K. I.</au><au>Teterin, A. Yu</au><au>Ivanov, K. E.</au><au>Kalmykov, S. N.</au><au>Petrov, V. G.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The Valence XPS Structure and the Nature of Chemical Bond in CmO2</atitle><jtitle>Radiochemistry (New York, N.Y.)</jtitle><stitle>Radiochemistry</stitle><date>2021-08-01</date><risdate>2021</risdate><volume>63</volume><issue>4</issue><spage>401</spage><epage>412</epage><pages>401-412</pages><issn>1066-3622</issn><eissn>1608-3288</eissn><abstract>In the approximation of the relativistic discrete variation method, the valence X-ray photoelectron spectrum of CmO
2
was calculated, and satisfactory agreement with the structure of the experimental spectrum was found. It was shown that the structure of the spectrum is due to the electrons of the outer (from 0 to ~15 eV) and inner (from ~15 to ~35 eV) valence molecular orbitals, which leads to an increase in the covalency of the chemical bond in CmO
2
. The effective charge of curium in CmO
2
was determined, and the contribution of various electrons to the chemical bond was evaluated. A semiempirical scheme of molecular orbitals for CmO
2
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| ispartof | Radiochemistry (New York, N.Y.), 2021-08, Vol.63 (4), p.401-412 |
| issn | 1066-3622 1608-3288 |
| language | eng |
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| source | Springer Link |
| subjects | Chemical bonds Chemistry Chemistry and Materials Science Chemistry/Food Science Curium Electrons Mathematical analysis Molecular orbitals Nuclear Chemistry Photoelectrons X ray photoelectron spectroscopy |
| title | The Valence XPS Structure and the Nature of Chemical Bond in CmO2 |
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