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Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane
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Zeitschriftentitel: | European Journal of Organic Chemistry |
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Personen und Körperschaften: | , |
In: | European Journal of Organic Chemistry, 2006, 2006, 23, S. 5231-5237 |
Format: | E-Article |
Sprache: | Englisch |
veröffentlicht: |
Wiley
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Schlagwörter: |
author_facet |
Dodziuk, Helena Ostrowski, Maciej Dodziuk, Helena Ostrowski, Maciej |
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author |
Dodziuk, Helena Ostrowski, Maciej |
spellingShingle |
Dodziuk, Helena Ostrowski, Maciej European Journal of Organic Chemistry Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane Organic Chemistry Physical and Theoretical Chemistry |
author_sort |
dodziuk, helena |
spelling |
Dodziuk, Helena Ostrowski, Maciej 1434-193X 1099-0690 Wiley Organic Chemistry Physical and Theoretical Chemistry http://dx.doi.org/10.1002/ejoc.200600237 <jats:title>Abstract</jats:title><jats:p>Calculations at the HF/6‐311G(d,p), DFT B3LYP/6‐311G(d,p), and MP2/6‐311G(d,p) levels show that the hypothetical molecule hexahydrosuperphane should have a planar saturated ring imposed by its incorporation into a cyclophane. The calculated NMR chemical shifts are compared with the experimental literature data for a few compounds with similar structure fragments. The calculated vibrational frequencies and the analysis of possible decomposition routes of the title molecule indicate that the molecule should be stable. Thus, it represents a plausible synthetic target. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)</jats:p> Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane European Journal of Organic Chemistry |
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European Journal of Organic Chemistry |
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title |
Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_unstemmed |
Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_full |
Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_fullStr |
Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_full_unstemmed |
Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_short |
Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_sort |
planarization of the cyclohexane ring by its incorporation into a cyclophane cage: hexahydrosuperphane |
topic |
Organic Chemistry Physical and Theoretical Chemistry |
url |
http://dx.doi.org/10.1002/ejoc.200600237 |
publishDate |
2006 |
physical |
5231-5237 |
description |
<jats:title>Abstract</jats:title><jats:p>Calculations at the HF/6‐311G(d,p), DFT B3LYP/6‐311G(d,p), and MP2/6‐311G(d,p) levels show that the hypothetical molecule hexahydrosuperphane should have a planar saturated ring imposed by its incorporation into a cyclophane. The calculated NMR chemical shifts are compared with the experimental literature data for a few compounds with similar structure fragments. The calculated vibrational frequencies and the analysis of possible decomposition routes of the title molecule indicate that the molecule should be stable. Thus, it represents a plausible synthetic target. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)</jats:p> |
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author | Dodziuk, Helena, Ostrowski, Maciej |
author_facet | Dodziuk, Helena, Ostrowski, Maciej, Dodziuk, Helena, Ostrowski, Maciej |
author_sort | dodziuk, helena |
container_issue | 23 |
container_start_page | 5231 |
container_title | European Journal of Organic Chemistry |
container_volume | 2006 |
description | <jats:title>Abstract</jats:title><jats:p>Calculations at the HF/6‐311G(d,p), DFT B3LYP/6‐311G(d,p), and MP2/6‐311G(d,p) levels show that the hypothetical molecule hexahydrosuperphane should have a planar saturated ring imposed by its incorporation into a cyclophane. The calculated NMR chemical shifts are compared with the experimental literature data for a few compounds with similar structure fragments. The calculated vibrational frequencies and the analysis of possible decomposition routes of the title molecule indicate that the molecule should be stable. Thus, it represents a plausible synthetic target. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)</jats:p> |
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source_id | 49 |
spelling | Dodziuk, Helena Ostrowski, Maciej 1434-193X 1099-0690 Wiley Organic Chemistry Physical and Theoretical Chemistry http://dx.doi.org/10.1002/ejoc.200600237 <jats:title>Abstract</jats:title><jats:p>Calculations at the HF/6‐311G(d,p), DFT B3LYP/6‐311G(d,p), and MP2/6‐311G(d,p) levels show that the hypothetical molecule hexahydrosuperphane should have a planar saturated ring imposed by its incorporation into a cyclophane. The calculated NMR chemical shifts are compared with the experimental literature data for a few compounds with similar structure fragments. The calculated vibrational frequencies and the analysis of possible decomposition routes of the title molecule indicate that the molecule should be stable. Thus, it represents a plausible synthetic target. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)</jats:p> Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane European Journal of Organic Chemistry |
spellingShingle | Dodziuk, Helena, Ostrowski, Maciej, European Journal of Organic Chemistry, Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane, Organic Chemistry, Physical and Theoretical Chemistry |
title | Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_full | Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_fullStr | Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_full_unstemmed | Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_short | Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
title_sort | planarization of the cyclohexane ring by its incorporation into a cyclophane cage: hexahydrosuperphane |
title_unstemmed | Planarization of the Cyclohexane Ring by Its Incorporation Into a Cyclophane Cage: Hexahydrosuperphane |
topic | Organic Chemistry, Physical and Theoretical Chemistry |
url | http://dx.doi.org/10.1002/ejoc.200600237 |