Inclusion of Chloromethane Guests Affects Conformation and Internal Dynamics of Cryptophane-D Host

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F12%3A10126460" target="_blank" >RIV/00216208:11320/12:10126460 - isvavai.cz</a>
Result on the web
<a href="http://pubs.acs.org/doi/abs/10.1021/jp303469x" target="_blank" >http://pubs.acs.org/doi/abs/10.1021/jp303469x</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp303469x" target="_blank" >10.1021/jp303469x</a>

Result language
angličtina
Original language name
Inclusion of Chloromethane Guests Affects Conformation and Internal Dynamics of Cryptophane-D Host
Original language description
Cryptophane-D is composed of two nonequivalent cyclotribenzylene caps bound together by three OCH2CH2O bridges in a syn arrangement. Host-guest complexes with chloroform and dichloromethane were investigated in solution by NMR spectroscopy. Variable temperature NMR. H-1 and C-13 spectra showed effects of chemical exchange between the free and bound guest and of conformational exchange for the host, strongly and specifically affected by guest binding. We found in particular that the carbon-13 chemical shifts for the linkers connecting the two cyclotribenzylene units are very informative. The NMR results were supported by DFT calculations. The guest exchange was also studied quantitatively, either by EXSY measurements (for chloroform as guest) or by line-shape analysis (for dichloromethane as guest). In the case of chloroform guest, we also investigated cross relaxation between the guest and host protons, as well as carbon 13 longitudinal relaxation and heteronuclear NOE at three differe
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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