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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

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Svazek periodika

116

Číslo periodika v rámci svazku

27

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

16

Strana od-do

7898-7913

Kód UT WoS článku

000306264200016

EID výsledku v databázi Scopus

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