The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones
New 1-thio-1,3-diene complexes of chromium(0), molybdenum(0), and tungsten(0) with the biden-tate bonding of unsaturated ligand to the metal’s core via the π-system of the C=C bond and sulfur lone electron pair of heterodiene are obtained. Quantum-chemical calculations reveal geometry, electron stru...
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| Format: | Article |
| Language: | English |
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Kazan Federal University
2015-06-01
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| Series: | Учёные записки Казанского университета: Серия Естественные науки |
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| Online Access: | http://kpfu.ru/portal/docs/F_1524327229/157_2_est_12_e.pdf |
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| author | Kuramshin A.I. Kolpakova E.V. Kuramshina E.A. Cherkasov R.A. Galkin V.I. |
| author_facet | Kuramshin A.I. Kolpakova E.V. Kuramshina E.A. Cherkasov R.A. Galkin V.I. |
| author_sort | Kuramshin A.I. |
| collection | DOAJ |
| description | New 1-thio-1,3-diene complexes of chromium(0), molybdenum(0), and tungsten(0) with the biden-tate bonding of unsaturated ligand to the metal’s core via the π-system of the C=C bond and sulfur lone electron pair of heterodiene are obtained. Quantum-chemical calculations reveal geometry, electron structure, and formation free energies of these complexes, as well as factors governing the coordination mode. Hydrophosphorylation of the complexes begins from the attack of H-dialkylphosphonate towards the thiocarbonyl group; the generated organometallic α-mercaptophosphonates subsequently undergo the mercaptophosphonate-thiolphospate and thiolphosphate-thionphosphate rearrangements with organ-ophosphorus compounds remaining bound to the metal’s core. |
| format | Article |
| id | doaj-art-e8736798eb4d4f66932779a99be936d8 |
| institution | Kabale University |
| issn | 1815-6169 2500-218X |
| language | English |
| publishDate | 2015-06-01 |
| publisher | Kazan Federal University |
| record_format | Article |
| series | Учёные записки Казанского университета: Серия Естественные науки |
| spelling | doaj-art-e8736798eb4d4f66932779a99be936d82025-02-03T09:54:36ZengKazan Federal UniversityУчёные записки Казанского университета: Серия Естественные науки1815-61692500-218X2015-06-011572143161The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-EnethionesKuramshin A.I.0Kolpakova E.V.1Kuramshina E.A.2Cherkasov R.A.3Galkin V.I.4Kazan Federal University, Kazan, 420008 RussiaKazan Federal University, Kazan, 420008 RussiaANCO “Neftepromkhim” Certification and Standardization Center, Kazan, 420045 RussiaKazan Federal University, Kazan, 420008 RussiaKazan Federal University, Kazan, 420008 RussiaNew 1-thio-1,3-diene complexes of chromium(0), molybdenum(0), and tungsten(0) with the biden-tate bonding of unsaturated ligand to the metal’s core via the π-system of the C=C bond and sulfur lone electron pair of heterodiene are obtained. Quantum-chemical calculations reveal geometry, electron structure, and formation free energies of these complexes, as well as factors governing the coordination mode. Hydrophosphorylation of the complexes begins from the attack of H-dialkylphosphonate towards the thiocarbonyl group; the generated organometallic α-mercaptophosphonates subsequently undergo the mercaptophosphonate-thiolphospate and thiolphosphate-thionphosphate rearrangements with organ-ophosphorus compounds remaining bound to the metal’s core.http://kpfu.ru/portal/docs/F_1524327229/157_2_est_12_e.pdfinner-sphere hydrophosphorylationthioxodieneschromiummolybdenumtungstenmercaptophosphonatesthionphosphatesmercaptophosphonate-thionphosphate rear-rangementquantum chemical calculations |
| spellingShingle | Kuramshin A.I. Kolpakova E.V. Kuramshina E.A. Cherkasov R.A. Galkin V.I. The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones Учёные записки Казанского университета: Серия Естественные науки inner-sphere hydrophosphorylation thioxodienes chromium molybdenum tungsten mercaptophosphonates thionphosphates mercaptophosphonate-thionphosphate rear-rangement quantum chemical calculations |
| title | The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones |
| title_full | The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones |
| title_fullStr | The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones |
| title_full_unstemmed | The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones |
| title_short | The Synthesis of π,n-Complexes of 1-Thio-1,3-dienes with Chromium Group Metals. The Inner-Sphere Hydrophosphorylation of α-Enethiones |
| title_sort | synthesis of π n complexes of 1 thio 1 3 dienes with chromium group metals the inner sphere hydrophosphorylation of α enethiones |
| topic | inner-sphere hydrophosphorylation thioxodienes chromium molybdenum tungsten mercaptophosphonates thionphosphates mercaptophosphonate-thionphosphate rear-rangement quantum chemical calculations |
| url | http://kpfu.ru/portal/docs/F_1524327229/157_2_est_12_e.pdf |
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