TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometr...
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
2019-12-01
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| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112&tlng=en |
| _version_ | 1819243434916970496 |
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| author | Lucia Kiyomi Noda Fabricio Ronil Sensato Norberto Sanches Gonçalves |
| author_facet | Lucia Kiyomi Noda Fabricio Ronil Sensato Norberto Sanches Gonçalves |
| author_sort | Lucia Kiyomi Noda |
| collection | DOAJ |
| description | In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes. |
| first_indexed | 2024-12-23T14:55:39Z |
| format | Article |
| id | doaj.art-4e894e818234467e903baa49d6b98003 |
| institution | Directory Open Access Journal |
| issn | 1678-7064 |
| language | English |
| last_indexed | 2024-12-23T14:55:39Z |
| publishDate | 2019-12-01 |
| publisher | Sociedade Brasileira de Química |
| record_format | Article |
| series | Química Nova |
| spelling | doaj.art-4e894e818234467e903baa49d6b980032022-12-21T17:42:46ZengSociedade Brasileira de QuímicaQuímica Nova1678-70642019-12-014291112111510.21577/0100-4042.20170427TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENTLucia Kiyomi Nodahttps://orcid.org/0000-0003-0523-1564Fabricio Ronil SensatoNorberto Sanches GonçalvesIn this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112&tlng=entitanyl sulfateRaman spectroscopyinfrared spectroscopysolid state ab initio calculationCRYSTAL17 |
| spellingShingle | Lucia Kiyomi Noda Fabricio Ronil Sensato Norberto Sanches Gonçalves TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT Química Nova titanyl sulfate Raman spectroscopy infrared spectroscopy solid state ab initio calculation CRYSTAL17 |
| title | TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT |
| title_full | TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT |
| title_fullStr | TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT |
| title_full_unstemmed | TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT |
| title_short | TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT |
| title_sort | titanyl sulphate an inorganic polymer structural studies and vibrational assignment |
| topic | titanyl sulfate Raman spectroscopy infrared spectroscopy solid state ab initio calculation CRYSTAL17 |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112&tlng=en |
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