Matches in SemOpenAlex for { <https://semopenalex.org/work/W2755820826> ?p ?o ?g. }
- W2755820826 endingPage "16604" @default.
- W2755820826 startingPage "16593" @default.
- W2755820826 abstract "Abstract Evidence for the surprising formation of polymeric phases under high pressure for conjugated nanohoop molecules was found. This paper represents one of the unique cases, in which the molecular‐level effects of pressure in crystalline organic solids is addressed, and provides a general approach based on vibrational Raman spectroscopy combining experiments and computations. In particular, we studied the structural and supramolecular chemistry of the cyclic conjugated nanohoop molecule [5]cyclo‐ para ‐phenylene ([5]CPP) under high pressures up to 10 GPa experimentally and up to 20 GPa computationally. The theoretical modeling for periodic crystals predicts good agreements with the experimentally obtained Raman spectra in the molecular phase. In addition, we have discovered two stable polymeric phases that arise in the simulation. The critical pressures in the simulation are too high, but the formation of polymeric phases at high pressures provides a natural explanation for the observed irreversibility of the Raman spectra upon pressure release between 6 and 7 GPa. The geometric parameters show a deformation toward quinonoid structures at high pressures accompanied by other deformations of the [5]CPP nanohoops. The quinonoidization of the benzene rings is linked to the systematic change of the bond length alternation as a function of the pressure, providing a qualitative interpretation of the observed spectral shifts of the molecular phase." @default.
- W2755820826 created "2017-09-25" @default.
- W2755820826 creator A5004874981 @default.
- W2755820826 creator A5006200378 @default.
- W2755820826 creator A5011288422 @default.
- W2755820826 creator A5013786336 @default.
- W2755820826 creator A5014727306 @default.
- W2755820826 creator A5032595820 @default.
- W2755820826 creator A5034442300 @default.
- W2755820826 creator A5068025811 @default.
- W2755820826 creator A5071645757 @default.
- W2755820826 creator A5077690796 @default.
- W2755820826 creator A5080220192 @default.
- W2755820826 date "2017-10-30" @default.
- W2755820826 modified "2023-10-14" @default.
- W2755820826 title "High-Pressure Chemistry and the Mechanochemical Polymerization of [5]-Cyclo-<i>p</i> -phenylene" @default.
- W2755820826 cites W1968866230 @default.
- W2755820826 cites W1974244354 @default.
- W2755820826 cites W1979324267 @default.
- W2755820826 cites W1980386532 @default.
- W2755820826 cites W1983168162 @default.
- W2755820826 cites W1987033476 @default.
- W2755820826 cites W1990195533 @default.
- W2755820826 cites W2006192666 @default.
- W2755820826 cites W2019365093 @default.
- W2755820826 cites W2025207346 @default.
- W2755820826 cites W2046454866 @default.
- W2755820826 cites W2049681700 @default.
- W2755820826 cites W2051521832 @default.
- W2755820826 cites W2052763134 @default.
- W2755820826 cites W2058544381 @default.
- W2755820826 cites W2070910610 @default.
- W2755820826 cites W2073409008 @default.
- W2755820826 cites W2076199279 @default.
- W2755820826 cites W2076582986 @default.
- W2755820826 cites W2084550453 @default.
- W2755820826 cites W2093105860 @default.
- W2755820826 cites W2116882432 @default.
- W2755820826 cites W2117085600 @default.
- W2755820826 cites W2120145199 @default.
- W2755820826 cites W2159764916 @default.
- W2755820826 cites W2192820684 @default.
- W2755820826 cites W2301734386 @default.
- W2755820826 cites W2314066312 @default.
- W2755820826 cites W2331278849 @default.
- W2755820826 cites W2343820844 @default.
- W2755820826 cites W2468220618 @default.
- W2755820826 cites W2585840083 @default.
- W2755820826 cites W2605782710 @default.
- W2755820826 cites W2963459436 @default.
- W2755820826 cites W4235636170 @default.
- W2755820826 cites W4255662921 @default.
- W2755820826 doi "https://doi.org/10.1002/chem.201703435" @default.
- W2755820826 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28898486" @default.
- W2755820826 hasPublicationYear "2017" @default.
- W2755820826 type Work @default.
- W2755820826 sameAs 2755820826 @default.
- W2755820826 citedByCount "10" @default.
- W2755820826 countsByYear W27558208262018 @default.
- W2755820826 countsByYear W27558208262019 @default.
- W2755820826 countsByYear W27558208262020 @default.
- W2755820826 countsByYear W27558208262021 @default.
- W2755820826 countsByYear W27558208262022 @default.
- W2755820826 crossrefType "journal-article" @default.
- W2755820826 hasAuthorship W2755820826A5004874981 @default.
- W2755820826 hasAuthorship W2755820826A5006200378 @default.
- W2755820826 hasAuthorship W2755820826A5011288422 @default.
- W2755820826 hasAuthorship W2755820826A5013786336 @default.
- W2755820826 hasAuthorship W2755820826A5014727306 @default.
- W2755820826 hasAuthorship W2755820826A5032595820 @default.
- W2755820826 hasAuthorship W2755820826A5034442300 @default.
- W2755820826 hasAuthorship W2755820826A5068025811 @default.
- W2755820826 hasAuthorship W2755820826A5071645757 @default.
- W2755820826 hasAuthorship W2755820826A5077690796 @default.
- W2755820826 hasAuthorship W2755820826A5080220192 @default.
- W2755820826 hasBestOaLocation W27558208262 @default.
- W2755820826 hasConcept C112613896 @default.
- W2755820826 hasConcept C120665830 @default.
- W2755820826 hasConcept C121332964 @default.
- W2755820826 hasConcept C147597530 @default.
- W2755820826 hasConcept C159467904 @default.
- W2755820826 hasConcept C178790620 @default.
- W2755820826 hasConcept C185592680 @default.
- W2755820826 hasConcept C2776026683 @default.
- W2755820826 hasConcept C32909587 @default.
- W2755820826 hasConcept C40003534 @default.
- W2755820826 hasConcept C44228677 @default.
- W2755820826 hasConcept C44280652 @default.
- W2755820826 hasConcept C521977710 @default.
- W2755820826 hasConcept C8010536 @default.
- W2755820826 hasConcept C93275456 @default.
- W2755820826 hasConceptScore W2755820826C112613896 @default.
- W2755820826 hasConceptScore W2755820826C120665830 @default.
- W2755820826 hasConceptScore W2755820826C121332964 @default.
- W2755820826 hasConceptScore W2755820826C147597530 @default.
- W2755820826 hasConceptScore W2755820826C159467904 @default.
- W2755820826 hasConceptScore W2755820826C178790620 @default.
- W2755820826 hasConceptScore W2755820826C185592680 @default.