Isomeric indolizine-based π-expanded push–pull NLO-chromophores: Synthesis and comparative study.
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| Title: | Isomeric indolizine-based π-expanded push–pull NLO-chromophores: Synthesis and comparative study. |
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| Authors: | Kalinin, Alexey A.1 kalesha007@mail.ru, Yusupova, Gulshat G.1 gulshat@iopc.ru, Burganov, Timur I.1 timk90@mail.ru, Dudkina, Yulia B.1 dudkinayu@iopc.ru, Islamova, Liliya N.1 nailisllil1989@mail.ru, Levitskaya, Alina I.1 april-90@mail.ru, Khamatgalimov, Ayrat R.1 ayrat_kh@iopc.ru, Katsyuba, Sergey A.1 katsyuba@iopc.ru, Budnikova, Yulia H.1 yulia@iopc.ru, Balakina, Marina Yu.1 mbalakina@yandex.ru |
| Source: | Journal of Molecular Structure. Mar2018, Vol. 1156, p74-82. 9p. |
| Subjects: | Metastable states, Chromophores synthesis, Density functional theory, Thermal stability, Chemical decomposition |
| Abstract: | Two series of isomeric indolizine-based chromophores with isophorone rings as a π-bridge have been synthesized and systematically investigated. The chromophores have a high thermal stability: the decomposition temperature is above 238 °C. For isomers with 1-methyl-2-phenylindolizin-3-yl (MPI-3) donor group higher values of β are predicted in comparison with those having 3-methyl-2-phenylindolizin-1-yl (MPI-1) donor group. This is in good agreement with the experimental and theoretical values of the HOMO-LUMO energy gap. Indolizine-based chromophores with barbituric acceptor and isophorone moieties in the π-bridge demonstrate the combination of good characteristics. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Molecular Structure is the property of Elsevier B.V. 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 |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 127468881 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Isomeric indolizine-based π-expanded push–pull NLO-chromophores: Synthesis and comparative study. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Kalinin%2C+Alexey+A%2E%22">Kalinin, Alexey A.</searchLink><relatesTo>1</relatesTo><i> kalesha007@mail.ru</i><br /><searchLink fieldCode="AR" term="%22Yusupova%2C+Gulshat+G%2E%22">Yusupova, Gulshat G.</searchLink><relatesTo>1</relatesTo><i> gulshat@iopc.ru</i><br /><searchLink fieldCode="AR" term="%22Burganov%2C+Timur+I%2E%22">Burganov, Timur I.</searchLink><relatesTo>1</relatesTo><i> timk90@mail.ru</i><br /><searchLink fieldCode="AR" term="%22Dudkina%2C+Yulia+B%2E%22">Dudkina, Yulia B.</searchLink><relatesTo>1</relatesTo><i> dudkinayu@iopc.ru</i><br /><searchLink fieldCode="AR" term="%22Islamova%2C+Liliya+N%2E%22">Islamova, Liliya N.</searchLink><relatesTo>1</relatesTo><i> nailisllil1989@mail.ru</i><br /><searchLink fieldCode="AR" term="%22Levitskaya%2C+Alina+I%2E%22">Levitskaya, Alina I.</searchLink><relatesTo>1</relatesTo><i> april-90@mail.ru</i><br /><searchLink fieldCode="AR" term="%22Khamatgalimov%2C+Ayrat+R%2E%22">Khamatgalimov, Ayrat R.</searchLink><relatesTo>1</relatesTo><i> ayrat_kh@iopc.ru</i><br /><searchLink fieldCode="AR" term="%22Katsyuba%2C+Sergey+A%2E%22">Katsyuba, Sergey A.</searchLink><relatesTo>1</relatesTo><i> katsyuba@iopc.ru</i><br /><searchLink fieldCode="AR" term="%22Budnikova%2C+Yulia+H%2E%22">Budnikova, Yulia H.</searchLink><relatesTo>1</relatesTo><i> yulia@iopc.ru</i><br /><searchLink fieldCode="AR" term="%22Balakina%2C+Marina+Yu%2E%22">Balakina, Marina Yu.</searchLink><relatesTo>1</relatesTo><i> mbalakina@yandex.ru</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Structure%22">Journal of Molecular Structure</searchLink>. Mar2018, Vol. 1156, p74-82. 9p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Metastable+states%22">Metastable states</searchLink><br /><searchLink fieldCode="DE" term="%22Chromophores+synthesis%22">Chromophores synthesis</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Thermal+stability%22">Thermal stability</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+decomposition%22">Chemical decomposition</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Two series of isomeric indolizine-based chromophores with isophorone rings as a π-bridge have been synthesized and systematically investigated. The chromophores have a high thermal stability: the decomposition temperature is above 238 °C. For isomers with 1-methyl-2-phenylindolizin-3-yl (MPI-3) donor group higher values of β are predicted in comparison with those having 3-methyl-2-phenylindolizin-1-yl (MPI-1) donor group. This is in good agreement with the experimental and theoretical values of the HOMO-LUMO energy gap. Indolizine-based chromophores with barbituric acceptor and isophorone moieties in the π-bridge demonstrate the combination of good characteristics. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Molecular Structure is the property of Elsevier B.V. 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.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.molstruc.2017.11.077 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 9 StartPage: 74 Subjects: – SubjectFull: Metastable states Type: general – SubjectFull: Chromophores synthesis Type: general – SubjectFull: Density functional theory Type: general – SubjectFull: Thermal stability Type: general – SubjectFull: Chemical decomposition Type: general Titles: – TitleFull: Isomeric indolizine-based π-expanded push–pull NLO-chromophores: Synthesis and comparative study. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Kalinin, Alexey A. – PersonEntity: Name: NameFull: Yusupova, Gulshat G. – PersonEntity: Name: NameFull: Burganov, Timur I. – PersonEntity: Name: NameFull: Dudkina, Yulia B. – PersonEntity: Name: NameFull: Islamova, Liliya N. – PersonEntity: Name: NameFull: Levitskaya, Alina I. – PersonEntity: Name: NameFull: Khamatgalimov, Ayrat R. – PersonEntity: Name: NameFull: Katsyuba, Sergey A. – PersonEntity: Name: NameFull: Budnikova, Yulia H. – PersonEntity: Name: NameFull: Balakina, Marina Yu. IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 03 Text: Mar2018 Type: published Y: 2018 Identifiers: – Type: issn-print Value: 00222860 Numbering: – Type: volume Value: 1156 Titles: – TitleFull: Journal of Molecular Structure Type: main |
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