Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units

Jeschke G, Sajid M, Schulte M, Ramezanian N, Volkov A, Zimmermann H, Godt A (2010)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132(29): 10107-10117.

Download
Es wurde kein Volltext hochgeladen. Nur Publikationsnachweis!
Zeitschriftenaufsatz | Veröffentlicht | Englisch
Autor
; ; ; ; ; ;
Abstract / Bemerkung
Ethynylene and p-phenylene are frequently employed constitutional units in constructing the backbone of nanoscopic molecules with specific shape and mechanical or electronic function. How well these properties are defined depends on the flexibility of the backbone, which can be characterized via the end-to-end distance distribution. This distribution is accessible by pulse electron paramagnetic resonance (EPR) distance measurements between spin labels that are attached at the backbone. Four sets of oligomer with different sequences of p-phenylene and ethynylene units and different spin labels were prepared using polar tagging as a tool for simple isolation of the targeted compounds. By variation of backbone length, of the sequence of p-phenylene and ethynylene units, and of the spin labels a consistent coarse-grained model for backbone flexibility of oligo(p-phenyleneethynylene)s and oligo(p-phenylenebutadiynylene)s is obtained. The relation of this harmonic segmented chain model to the worm-like chain model for shape-persistent polymers and to atomistic molecular dynamics simulations is discussed. Oligo(p-phenylene butadiynylene)s are found to be more flexible than oligo(p-phenyleneethynylene)s, but only slightly so. The end-to-end distance distribution measured in a glassy state of the solvent at a temperature of 50 K is found to depend on the glass transition temperature of the solvent. In the range between 91 and 373 K this dependence is in quantitative agreement with expectations for flexibility due to harmonic bending. For the persistence lengths at 298 K our data predict values of (13.8 +/- 1.5) nm for poly(p-phenyleneethynylene)s and of (11.8 +/- 1.5) nm for poly(p-phenylenebutadiynylene)s.
Erscheinungsjahr
Zeitschriftentitel
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Band
132
Zeitschriftennummer
29
Seite
10107-10117
ISSN
eISSN
PUB-ID

Zitieren

Jeschke G, Sajid M, Schulte M, et al. Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2010;132(29):10107-10117.
Jeschke, G., Sajid, M., Schulte, M., Ramezanian, N., Volkov, A., Zimmermann, H., & Godt, A. (2010). Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(29), 10107-10117. doi:10.1021/ja102983b
Jeschke, G., Sajid, M., Schulte, M., Ramezanian, N., Volkov, A., Zimmermann, H., and Godt, A. (2010). Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132, 10107-10117.
Jeschke, G., et al., 2010. Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(29), p 10107-10117.
G. Jeschke, et al., “Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 132, 2010, pp. 10107-10117.
Jeschke, G., Sajid, M., Schulte, M., Ramezanian, N., Volkov, A., Zimmermann, H., Godt, A.: Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 132, 10107-10117 (2010).
Jeschke, Gunnar, Sajid, Muhammad, Schulte, Miriam, Ramezanian, Navid, Volkov, Aleksei, Zimmermann, Herbert, and Godt, Adelheid. “Flexibility of Shape-Persistent Molecular Building Blocks Composed of p-Phenylene and Ethynylene Units”. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132.29 (2010): 10107-10117.

38 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

DEER distance measurements on proteins.
Jeschke G., Annu Rev Phys Chem 63(), 2012
PMID: 22404592
Simulating the dynamics and orientations of spin-labeled side chains in a protein-DNA complex.
Sarver JL, Townsend JE, Rajapakse G, Jen-Jacobson L, Saxena S., J Phys Chem B 116(13), 2012
PMID: 22404310
Distance measurements in Au nanoparticles functionalized with nitroxide radicals and Gd(3+)-DTPA chelate complexes.
Yulikov M, Lueders P, Warsi MF, Chechik V, Jeschke G., Phys Chem Chem Phys 14(30), 2012
PMID: 22743649
High sensitivity and versatility of the DEER experiment on nitroxide radical pairs at Q-band frequencies.
Polyhach Y, Bordignon E, Tschaggelar R, Gandra S, Godt A, Jeschke G., Phys Chem Chem Phys 14(30), 2012
PMID: 22751953
Trityl radicals: spin labels for nanometer-distance measurements.
Reginsson GW, Kunjir NC, Sigurdsson ST, Schiemann O., Chemistry 18(43), 2012
PMID: 22996284
Shigella flexneri Spa15 crystal structure verified in solution by double electron electron resonance.
Lillington JE, Lovett JE, Johnson S, Roversi P, Timmel CR, Lea SM., J Mol Biol 405(2), 2011
PMID: 21075116
Rotamer libraries of spin labelled cysteines for protein studies.
Polyhach Y, Bordignon E, Jeschke G., Phys Chem Chem Phys 13(6), 2011
PMID: 21116569
Recent advances in Sonogashira reactions.
Chinchilla R, Nájera C., Chem Soc Rev 40(10), 2011
PMID: 21655588
Porous interpenetrated zirconium-organic frameworks (PIZOFs): a chemically versatile family of metal-organic frameworks.
Schaate A, Roy P, Preusse T, Lohmeier SJ, Godt A, Behrens P., Chemistry 17(34), 2011
PMID: 21796692

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®

Quellen

PMID: 20590116
PubMed | Europe PMC

Suchen in

Google Scholar