Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation
— This paper presents first principles quantum-chemical calculations of vibrational spectra of SrMoO 4 clusters and clusters of Sr 0.4 Bi 0.4 MoO 4 , a cation-deficient scheelite-like phase. The calculation results are compared to experimental Raman spectroscopy data. The effects of bismuth incorpor...
Gespeichert in:
| Veröffentlicht in: | Inorganic materials 2023-03, Vol.59 (3), p.284-290 |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 290 |
|---|---|
| container_issue | 3 |
| container_start_page | 284 |
| container_title | Inorganic materials |
| container_volume | 59 |
| creator | Sokolenko, E. V. Buyanova, E. S. Mikhailovskaya, Z. A. Slyusarev, G. V. |
| description | —
This paper presents first principles quantum-chemical calculations of vibrational spectra of SrMoO
4
clusters and clusters of Sr
0.4
Bi
0.4
MoO
4
, a cation-deficient scheelite-like phase. The calculation results are compared to experimental Raman spectroscopy data. The effects of bismuth incorporation and structural disorder in the clusters show up as additional scissoring vibrations of oxygens. |
| doi_str_mv | 10.1134/S0020168523030135 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2894436327</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2894436327</sourcerecordid><originalsourceid>FETCH-LOGICAL-c268t-3c10ee36ab269aee174ca7d80826d11c9733477ac2d9175c94eaf5616ebbca563</originalsourceid><addsrcrecordid>eNp1kEFLxDAUhIMouK7-AG8Bz9W8pE1ab7rsqqAorHoNafqqWbptTVJw_71dV_AgnuYw8w3MEHIK7BxApBdLxjgDmWdcMMFAZHtkApLliQDF98lkaydb_5AchbBijKVZXkyIfnWlN9F1rWnoskcbvaFdTZfRd210w5peu7Ae4jt96JpNWZmIl3T-2aN3a2wjNW1FF86HSJ-8a63rGwx0Zho7NN-tx-SgNk3Akx-dkpfF_Hl2m9w_3tzNru4Ty2UeE2GBIQppSi4LgwgqtUZVOcu5rABsoYRIlTKWVwWozBYpmjqTILEsrcmkmJKzXW_vu48BQ9SrbvDjqKB5XqSpkIKrMQW7lPVdCB5r3Y87jN9oYHr7o_7z48jwHRPGbPuG_rf5f-gLAm507g</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2894436327</pqid></control><display><type>article</type><title>Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation</title><source>SpringerLink Journals - AutoHoldings</source><creator>Sokolenko, E. V. ; Buyanova, E. S. ; Mikhailovskaya, Z. A. ; Slyusarev, G. V.</creator><creatorcontrib>Sokolenko, E. V. ; Buyanova, E. S. ; Mikhailovskaya, Z. A. ; Slyusarev, G. V.</creatorcontrib><description>—
This paper presents first principles quantum-chemical calculations of vibrational spectra of SrMoO
4
clusters and clusters of Sr
0.4
Bi
0.4
MoO
4
, a cation-deficient scheelite-like phase. The calculation results are compared to experimental Raman spectroscopy data. The effects of bismuth incorporation and structural disorder in the clusters show up as additional scissoring vibrations of oxygens.</description><identifier>ISSN: 0020-1685</identifier><identifier>EISSN: 1608-3172</identifier><identifier>DOI: 10.1134/S0020168523030135</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Bismuth ; Chemistry ; Chemistry and Materials Science ; Clusters ; First principles ; Industrial Chemistry/Chemical Engineering ; Inorganic Chemistry ; Materials Science ; Mathematical analysis ; Quantum chemistry ; Raman spectroscopy ; Scheelite ; Vibrational spectra</subject><ispartof>Inorganic materials, 2023-03, Vol.59 (3), p.284-290</ispartof><rights>Pleiades Publishing, Ltd. 2023. ISSN 0020-1685, Inorganic Materials, 2023, Vol. 59, No. 3, pp. 284–290. © Pleiades Publishing, Ltd., 2023. ISSN 0020-1685, Inorganic Materials, 2023. © Pleiades Publishing, Ltd., 2023. Russian Text © The Author(s), 2023, published in Neorganicheskie Materialy, 2023, Vol. 59, No. 3, pp. 294–300.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c268t-3c10ee36ab269aee174ca7d80826d11c9733477ac2d9175c94eaf5616ebbca563</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S0020168523030135$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S0020168523030135$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,778,782,27907,27908,41471,42540,51302</link.rule.ids></links><search><creatorcontrib>Sokolenko, E. V.</creatorcontrib><creatorcontrib>Buyanova, E. S.</creatorcontrib><creatorcontrib>Mikhailovskaya, Z. A.</creatorcontrib><creatorcontrib>Slyusarev, G. V.</creatorcontrib><title>Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation</title><title>Inorganic materials</title><addtitle>Inorg Mater</addtitle><description>—
This paper presents first principles quantum-chemical calculations of vibrational spectra of SrMoO
4
clusters and clusters of Sr
0.4
Bi
0.4
MoO
4
, a cation-deficient scheelite-like phase. The calculation results are compared to experimental Raman spectroscopy data. The effects of bismuth incorporation and structural disorder in the clusters show up as additional scissoring vibrations of oxygens.</description><subject>Bismuth</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Clusters</subject><subject>First principles</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Inorganic Chemistry</subject><subject>Materials Science</subject><subject>Mathematical analysis</subject><subject>Quantum chemistry</subject><subject>Raman spectroscopy</subject><subject>Scheelite</subject><subject>Vibrational spectra</subject><issn>0020-1685</issn><issn>1608-3172</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp1kEFLxDAUhIMouK7-AG8Bz9W8pE1ab7rsqqAorHoNafqqWbptTVJw_71dV_AgnuYw8w3MEHIK7BxApBdLxjgDmWdcMMFAZHtkApLliQDF98lkaydb_5AchbBijKVZXkyIfnWlN9F1rWnoskcbvaFdTZfRd210w5peu7Ae4jt96JpNWZmIl3T-2aN3a2wjNW1FF86HSJ-8a63rGwx0Zho7NN-tx-SgNk3Akx-dkpfF_Hl2m9w_3tzNru4Ty2UeE2GBIQppSi4LgwgqtUZVOcu5rABsoYRIlTKWVwWozBYpmjqTILEsrcmkmJKzXW_vu48BQ9SrbvDjqKB5XqSpkIKrMQW7lPVdCB5r3Y87jN9oYHr7o_7z48jwHRPGbPuG_rf5f-gLAm507g</recordid><startdate>20230301</startdate><enddate>20230301</enddate><creator>Sokolenko, E. V.</creator><creator>Buyanova, E. S.</creator><creator>Mikhailovskaya, Z. A.</creator><creator>Slyusarev, G. V.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20230301</creationdate><title>Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation</title><author>Sokolenko, E. V. ; Buyanova, E. S. ; Mikhailovskaya, Z. A. ; Slyusarev, G. V.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c268t-3c10ee36ab269aee174ca7d80826d11c9733477ac2d9175c94eaf5616ebbca563</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Bismuth</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Clusters</topic><topic>First principles</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Inorganic Chemistry</topic><topic>Materials Science</topic><topic>Mathematical analysis</topic><topic>Quantum chemistry</topic><topic>Raman spectroscopy</topic><topic>Scheelite</topic><topic>Vibrational spectra</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Sokolenko, E. V.</creatorcontrib><creatorcontrib>Buyanova, E. S.</creatorcontrib><creatorcontrib>Mikhailovskaya, Z. A.</creatorcontrib><creatorcontrib>Slyusarev, G. V.</creatorcontrib><collection>CrossRef</collection><jtitle>Inorganic materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Sokolenko, E. V.</au><au>Buyanova, E. S.</au><au>Mikhailovskaya, Z. A.</au><au>Slyusarev, G. V.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation</atitle><jtitle>Inorganic materials</jtitle><stitle>Inorg Mater</stitle><date>2023-03-01</date><risdate>2023</risdate><volume>59</volume><issue>3</issue><spage>284</spage><epage>290</epage><pages>284-290</pages><issn>0020-1685</issn><eissn>1608-3172</eissn><abstract>—
This paper presents first principles quantum-chemical calculations of vibrational spectra of SrMoO
4
clusters and clusters of Sr
0.4
Bi
0.4
MoO
4
, a cation-deficient scheelite-like phase. The calculation results are compared to experimental Raman spectroscopy data. The effects of bismuth incorporation and structural disorder in the clusters show up as additional scissoring vibrations of oxygens.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S0020168523030135</doi><tpages>7</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0020-1685 |
| ispartof | Inorganic materials, 2023-03, Vol.59 (3), p.284-290 |
| issn | 0020-1685 1608-3172 |
| language | eng |
| recordid | cdi_proquest_journals_2894436327 |
| source | SpringerLink Journals - AutoHoldings |
| subjects | Bismuth Chemistry Chemistry and Materials Science Clusters First principles Industrial Chemistry/Chemical Engineering Inorganic Chemistry Materials Science Mathematical analysis Quantum chemistry Raman spectroscopy Scheelite Vibrational spectra |
| title | Vibrational Spectra of Strontium Bismuth Molybdate: Experiment and First Principles Calculation |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-17T04%3A23%3A11IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Vibrational%20Spectra%20of%20Strontium%20Bismuth%20Molybdate:%20Experiment%20and%20First%20Principles%20Calculation&rft.jtitle=Inorganic%20materials&rft.au=Sokolenko,%20E.%20V.&rft.date=2023-03-01&rft.volume=59&rft.issue=3&rft.spage=284&rft.epage=290&rft.pages=284-290&rft.issn=0020-1685&rft.eissn=1608-3172&rft_id=info:doi/10.1134/S0020168523030135&rft_dat=%3Cproquest_cross%3E2894436327%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2894436327&rft_id=info:pmid/&rfr_iscdi=true |