Dynamika molekularna w ligandach makrocyklicznych typu Podand badana za pomocą Spektroskopii Dielektrycznej i NMR
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2012-12-10
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Molecular Dynamics of P-Podand macrocyclic ligands investigated by Dielectric Spectroscopy and NMR
Abstract
Trzy różne systemy P Podand fosforu trójwartościowego z badano metodami spektroskopii wyjaśnić związek pomiędzy ich budowy chemicznej i dynamiki molekularnej. Właściwości termiczne sprawdzono metodą DSC, aby odsłonić rodzaje zamawianiu zachowanie fazy bezpostaciowej i krystalicznej stosunku do fazy. CW metodą NMR i T1 pomiary relaksacyjne, pomogło w określeniu lokalnych grup CH3 ruchy w niskich temperaturach i wewnętrzne ruchy w łańcuchach w wyższych temperaturach. FTIR wykazały bogaty i skomplikowany charakter wewnętrznych ruchów. Obserwacje zostały potwierdzone przez BDS dochodzeń, które pozwoliły opisać te wnioski i zaproponować modele dynamiki molekularnej objawił i do oszacowania parametrów aktywowania dla każdego mechanizmu. Dynamika na poziomie molekularnym, a także i inne właściwości termicznych odkrytych w badanych P Podand systemów są skutki ich budowy chemicznej i zmiany w stosunku amorficznych i uporządkowanej fazy spowodowane zmianami temperatury. Ujawnieni obroty molekularne, lokalne i segmentowe projekty i zmiany w konformacji glikolu i łańcuchy alkilowe odmowy sortowane i nakazał faz oraz aktywacje parametrów pochodzących są omawiane i porównywane z danymi dostępnymi w literaturze.
Three different P-Podand systems with trivalent phosphor were investigated by spectroscopy methods, to elucidate the relation between their chemical structure and molecular dynamics. Thermal properties were checked by DSC method to reveal types of ordering, phase behavior, and the amorphous to the crystal phase ratio. CW NMR method and T1 relaxation measurements, helped to identify the local motions of CH3 groups at low temperatures and the internal motions in the chains at higher temperatures. FTIR revealed rich and complicated nature of internal motions. The observations were corroborated by the BDS investigations, which made it possible describe these motions and to propose models for molecular dynamics revealed and to estimate activation parameters for each mechanism. Dynamics on molecular level as well as thermal and other properties uncovered in the investigated P-Podand systems are consequences of their chemical structure and changes in the ratio of the amorphous and the ordered phases caused by temperature changes. Revealed molecular rotations, local and segmental motions and changes in conformation of the glycol and alkyl chains for non-ordered and ordered phases and the activations parameters derived are discussed and compared with the data available in literature.
Three different P-Podand systems with trivalent phosphor were investigated by spectroscopy methods, to elucidate the relation between their chemical structure and molecular dynamics. Thermal properties were checked by DSC method to reveal types of ordering, phase behavior, and the amorphous to the crystal phase ratio. CW NMR method and T1 relaxation measurements, helped to identify the local motions of CH3 groups at low temperatures and the internal motions in the chains at higher temperatures. FTIR revealed rich and complicated nature of internal motions. The observations were corroborated by the BDS investigations, which made it possible describe these motions and to propose models for molecular dynamics revealed and to estimate activation parameters for each mechanism. Dynamics on molecular level as well as thermal and other properties uncovered in the investigated P-Podand systems are consequences of their chemical structure and changes in the ratio of the amorphous and the ordered phases caused by temperature changes. Revealed molecular rotations, local and segmental motions and changes in conformation of the glycol and alkyl chains for non-ordered and ordered phases and the activations parameters derived are discussed and compared with the data available in literature.
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Wydział Fizyki: Zakład Fizyki Makromolekularnej
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Keywords
Dynamika molekularna, Molecular dynamics, NMR, BDS, podandy, podands, Chemia supramolekularna, Supramolecular chemistry