Low-Energy Excited Singlet States of para-Aminothiophenol in Methanol and n-Hexane Solutions.
Saved in:
| Title: | Low-Energy Excited Singlet States of para-Aminothiophenol in Methanol and n-Hexane Solutions. |
|---|---|
| Authors: | Tseplina, S. N.1 (AUTHOR) SN_Tseplina@mail.ru, Tseplin, E. E.1 (AUTHOR) |
| Source: | High Energy Chemistry. Aug2024, Vol. 58 Issue 4, p369-374. 6p. |
| Subjects: | Hexane, Electronic spectra, Methanol, Optical spectra, Light absorption, Excited states |
| Abstract: | Optical absorption spectra of para-aminothiophenol in n-hexane and methanol solutions have been obtained. The calculation has been carried out using the TDDFT B3LYP/6-311+G(d,p) method taking into account the polarizable continuum model of the electronic spectra of the p-aminothiophenol molecule in n-hexane and its hydrogen-bonded complex with two methanol molecules in a methanol solution. Based on these calculations, the main absorption bands are interpreted and it is shown that the second excited singlet state is formed by a π → σ* electronic transition, which makes a significant contribution to the first absorption band of p-aminothiophenol in these solutions. [ABSTRACT FROM AUTHOR] |
| Copyright of High Energy Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
|
Full text is not displayed to guests.
Login for full access.
|
|
| FullText | Links: – Type: pdflink Text: Availability: 1 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 178588911 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Low-Energy Excited Singlet States of para-Aminothiophenol in Methanol and n-Hexane Solutions. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Tseplina%2C+S%2E+N%2E%22">Tseplina, S. N.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> SN_Tseplina@mail.ru</i><br /><searchLink fieldCode="AR" term="%22Tseplin%2C+E%2E+E%2E%22">Tseplin, E. E.</searchLink><relatesTo>1</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22High+Energy+Chemistry%22">High Energy Chemistry</searchLink>. Aug2024, Vol. 58 Issue 4, p369-374. 6p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Hexane%22">Hexane</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+spectra%22">Electronic spectra</searchLink><br /><searchLink fieldCode="DE" term="%22Methanol%22">Methanol</searchLink><br /><searchLink fieldCode="DE" term="%22Optical+spectra%22">Optical spectra</searchLink><br /><searchLink fieldCode="DE" term="%22Light+absorption%22">Light absorption</searchLink><br /><searchLink fieldCode="DE" term="%22Excited+states%22">Excited states</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Optical absorption spectra of para-aminothiophenol in n-hexane and methanol solutions have been obtained. The calculation has been carried out using the TDDFT B3LYP/6-311+G(d,p) method taking into account the polarizable continuum model of the electronic spectra of the p-aminothiophenol molecule in n-hexane and its hydrogen-bonded complex with two methanol molecules in a methanol solution. Based on these calculations, the main absorption bands are interpreted and it is shown that the second excited singlet state is formed by a π → σ* electronic transition, which makes a significant contribution to the first absorption band of p-aminothiophenol in these solutions. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of High Energy Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=178588911 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1134/S001814392470036X Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 6 StartPage: 369 Subjects: – SubjectFull: Hexane Type: general – SubjectFull: Electronic spectra Type: general – SubjectFull: Methanol Type: general – SubjectFull: Optical spectra Type: general – SubjectFull: Light absorption Type: general – SubjectFull: Excited states Type: general Titles: – TitleFull: Low-Energy Excited Singlet States of para-Aminothiophenol in Methanol and n-Hexane Solutions. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Tseplina, S. N. – PersonEntity: Name: NameFull: Tseplin, E. E. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 08 Text: Aug2024 Type: published Y: 2024 Identifiers: – Type: issn-print Value: 00181439 Numbering: – Type: volume Value: 58 – Type: issue Value: 4 Titles: – TitleFull: High Energy Chemistry Type: main |
| ResultId | 1 |
