author_facet Dodziuk, Helena
Ostrowski, Maciej
Dodziuk, Helena
Ostrowski, Maciej
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 &amp; 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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series 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 &amp; 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
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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 &amp; Co. KGaA, 69451 Weinheim, Germany, 2006)</jats:p>
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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 &amp; 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