Repozytorium

Crystal engineering of 1-halopolyynes by end-group manipulation.

Autorzy

Bartłomiej Pigulski

Nurbey Gulia

Patrycja Męcik

Robert Wieczorek

Agata Arendt

Sławomir Szafert

Rok wydania

2019

Czasopismo

Crystal Growth and Design

Numer woluminu

19

Strony

6542-6551

DOI

10.1021/acs.cgd.9b00987

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

Polyynes are compounds with two or more conjugated carbon–carbon triple bonds. Such molecules are usually regarded as models of carbyne—a hypothetical one-dimensional allotropic form of carbon. 1-Halopolyynes are rare representatives of such species, but few interesting crystal-to-crystal reactions have been recently reported for them. Herein, we present 11 new X-ray structures of 1-halopolyynes, nearly doubling the number of such compounds characterized with the use of single-crystal X-ray diffraction. The influence of an end-group on packing motifs in crystal structures of the 1-halopolyynes were thoroughly examined. Especially the strength of halogen bond as a function of polyyne chain length was analyzed with the support of theoretical calculations. Moreover, the compound CNC8I is the longest 1-halopolyyne characterized to date with the use of rentgenostructural analysis. In addition to that, the compounds NO2C6Br and MeC(O)C6Br are the first 1-bromohexatriynes characterized by means of X-ray single-crystal diffraction.

Adres publiczny

http://dx.doi.org/10.1021/acs.cgd.9b00987

Strona internetowa wydawcy

https://www.acs.org/content/acs/en.html

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