Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behaviour
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F07%3A00096280" target="_blank" >RIV/67985858:_____/07:00096280 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behaviour
Original language description
NMR spectroscopy, X-ray diffraction analysis, and quantum chemical calculations were used for conformational behaviour study of partially alkylated thiacalix[4]arenes bearing methyl, ethyl or propyl groups at the lower rim. The conformational propertiesare governed by two basic effects: i) stabilization by intramolecular hydrogen bonds, and ii) sterical requirements of the alkoxy groups at the lower rim. While the monosubstituted derivatives 1a and 3a adopt the cone conformation in solution, distally disubstituted compounds 1b, 1'b, 2b, 2'b, 3b and 3?b exhibit several interesting conformational features. They prefer pinched cone conformation in solution, however, except for 3'b they form also 1,2-alternate conformation, which is flexible and undergoesrather fast t
Czech name
Částečně O-Alkylované thiacalix[4]areny: Syntéza, Moleculární a krystalové struktury, Konformační chování
Czech description
Pro studii konformačního chování částečně alkylovaných thiacallixarenů bylo použito NMR spektroskopie, rtg. strukturní analýzy a kvantově-chemických výpočtů.
Classification
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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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Organic Chemistry
ISSN
0022-3263
e-ISSN
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Volume of the periodical
72
Issue of the periodical within the volume
19
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
7157-7166
UT code for WoS article
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EID of the result in the Scopus database
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