Conformations of Calix[4]arenes. An Investigation Based on CSD Data. Part III. Calix[4]resorcinarenes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F18%3A10388887" target="_blank" >RIV/00216208:11310/18:10388887 - isvavai.cz</a>

Výsledek na webu

<a href="http://chemistry-vestnik.ksu.kz/apart/2018-91-3/2.pdf" target="_blank" >http://chemistry-vestnik.ksu.kz/apart/2018-91-3/2.pdf</a>

DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Conformations of Calix[4]arenes. An Investigation Based on CSD Data. Part III. Calix[4]resorcinarenes

Popis výsledku v původním jazyce

In the first part of this investigation (Part I), cone conformers of calix[4]arenes with methylene and heteroatom bridges from the Cambridge Structural Database (CSD) were investigated, in the second part (Part II) we focused on structures of partial cone, 1,2-alternate and 1,3-alternate conformers with methylene-and heteroatom-bridged calix[4]arenes represented in this Part II. This, third part (Part III) of the review is a sequel and it is on conformations and geometry of calix[4]resorcinarenes scafolds, again using the data from the CSD. The results were compared to data of calix[4]arene structures in our previous work. The effects of substitutions and inter/intramolecular interactions present in the structure on the symmetry of the resorcinarene base frame were evaluated with the help of previously introduced stereochemical parameters alpha, beta, and delta. Utilization of new, slightly modified scale of parameters alpha&apos;, beta&apos;, delta&apos; was tested, too. To sum up, these parameter are useful not only for describing the geometry of calix[4]arenes, but for calix[4]resorcinarenes, too. The calix[4]resorcinarenes seem to be more conformationally flexible and the &quot;flat&quot; arrangements are more favoured there. Generally, the substitution is more complex and more irregular in the case of calix[4]resorcinarenes, and it is relatively difficult to found some common patterns. However, as all these results were obtained from solid state data, no conclusion concerning conformations and behavior of these molecules in solution can be stated, similary as in the case of calix[4]arenes.

Název v anglickém jazyce

Conformations of Calix[4]arenes. An Investigation Based on CSD Data. Part III. Calix[4]resorcinarenes

Popis výsledku anglicky

In the first part of this investigation (Part I), cone conformers of calix[4]arenes with methylene and heteroatom bridges from the Cambridge Structural Database (CSD) were investigated, in the second part (Part II) we focused on structures of partial cone, 1,2-alternate and 1,3-alternate conformers with methylene-and heteroatom-bridged calix[4]arenes represented in this Part II. This, third part (Part III) of the review is a sequel and it is on conformations and geometry of calix[4]resorcinarenes scafolds, again using the data from the CSD. The results were compared to data of calix[4]arene structures in our previous work. The effects of substitutions and inter/intramolecular interactions present in the structure on the symmetry of the resorcinarene base frame were evaluated with the help of previously introduced stereochemical parameters alpha, beta, and delta. Utilization of new, slightly modified scale of parameters alpha&apos;, beta&apos;, delta&apos; was tested, too. To sum up, these parameter are useful not only for describing the geometry of calix[4]arenes, but for calix[4]resorcinarenes, too. The calix[4]resorcinarenes seem to be more conformationally flexible and the &quot;flat&quot; arrangements are more favoured there. Generally, the substitution is more complex and more irregular in the case of calix[4]resorcinarenes, and it is relatively difficult to found some common patterns. However, as all these results were obtained from solid state data, no conclusion concerning conformations and behavior of these molecules in solution can be stated, similary as in the case of calix[4]arenes.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Bulletin of Karaganda State University, Series chemistry

ISSN

2518-718X

e-ISSN

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Svazek periodika

neuveden

Číslo periodika v rámci svazku

91

Stát vydavatele periodika

KZ - Republika Kazachstán

Počet stran výsledku

29

Strana od-do

17-45

Kód UT WoS článku

000456244300002

EID výsledku v databázi Scopus

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