The rotational dynamics of phenylene and diamantane rotators in crystals of 1,9-bis(4-[3,3,3-triphenylpropynyl]phenyl)diamantane were analyzed independently within the same crystal structure. The dynamics of phenylene rotation were established by dynamic line shape analysis using 13C CPMAS NMR. The phenylene signals were selectively highlighted by deuteration of the aromatic trityls and the use of short contact times for cross polarization. The dynamics of the diamantane group were established by 1H spin-lattice relaxation under conditions where dipolar relaxation was shown to be the dominant mechanism between 250 and 425 K. A factor of 20 000 between the rates of rotation of the faster diamantane and the slower phenylene at 300 K supports expectations that higher symmetry rotors should have significantly faster dynamics.
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J Phys Chem Lett
January 2025
SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Environmental Theoretical Chemistry, School of Environment, South China Normal University, Guangzhou 510006, China.
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View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
School of Mechanical & Vehicle Engineering, Linyi University, Linyi, Shandong 276000, China.
Molecular dynamics simulations demonstrate that regular conical helices of poly(-phenylene) (PPP) chains can be constructed inside the confined space of single-walled carbon nanocones (CNCs). The translocation displacement of the PPP chain combined with the change of the system total potential energy including each energy component and structural parameters of the formed conical helix is discussed to deeply explore the microstructure evolution, driving forces and dynamic mechanisms. In addition, the influence of chain length, cone angle, temperature, chain number, linked position of benzene rings and the form of Lennard-Jones potential on the helical encapsulation is further studied.
View Article and Find Full Text PDFSmall
December 2024
Department of Chemistry & Chemical Biology and the Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON, L8S 4M1, Canada.
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View Article and Find Full Text PDFBiosens Bioelectron
March 2025
School of Science and Engineering, Shenzhen Institute of Aggregate Science and Technology, The Chinese University of Hong Kong, Shenzhen, (CUHK-Shenzhen), Guangdong, 518172, China.
Krebs von den Lungen-6 (KL-6) has been recognized as an effective serum biomarker for interstitial lung disease (ILD). The KL-6 accurate detection is of great significance for evaluating the severity of ILD and the prognosis of patients. In this study, a bright aggregation-induced emission luminogen (AIEgen) N, N'-((1,2-diphenylethene-1,2-diyl)bis(4,1-phenylene))bis(N-phenylnaphthalen-1-amine) (TPETN) with a high quantum yield of 87.
View Article and Find Full Text PDFMacromol Rapid Commun
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Electronic Convergence Materials & Device Research Center, Korea Electronics Technology Institute, Seongnam, Gyeonggi, 13509, Republic of Korea.
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