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.

Journal Article | Published | English

No fulltext has been uploaded

Author
; ; ; ; ; ;
Abstract
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.
Publishing Year
ISSN
eISSN
PUB-ID

Cite this

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.
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.
This data publication is cited in the following publications:
This publication cites the following data publications:

20 Citations in Europe PMC

Data provided by Europe PubMed Central.

Nanometric distance measurements between Mn(ii)DOTA centers.
Vincent Ching HY, Demay-Drouhard P, Bertrand HC, Policar C, Tabares LC, Un S., Phys Chem Chem Phys 17(36), 2015
PMID: 26287752
Gd(III)-Gd(III) EPR distance measurements--the range of accessible distances and the impact of zero field splitting.
Dalaloyan A, Qi M, Ruthstein S, Vega S, Godt A, Feintuch A, Goldfarb D., Phys Chem Chem Phys 17(28), 2015
PMID: 26108866
Shape Persistence of Polyproline II Helical Oligoprolines.
Garbuio L, Lewandowski B, Wilhelm P, Ziegler L, Yulikov M, Wennemers H, Jeschke G., Chemistry 21(30), 2015
PMID: 26089127
Sensitivity enhancement by population transfer in Gd(III) spin labels.
Doll A, Qi M, Pribitzer S, Wili N, Yulikov M, Godt A, Jeschke G., Phys Chem Chem Phys 17(11), 2015
PMID: 25697259
Measurements of short distances between trityl spin labels with CW EPR, DQC and PELDOR.
Kunjir NC, Reginsson GW, Schiemann O, Sigurdsson ST., Phys Chem Chem Phys 15(45), 2013
PMID: 24135783
Conformational dynamics and distribution of nitroxide spin labels.
Jeschke G., Prog Nucl Magn Reson Spectrosc 72(), 2013
PMID: 23731861
Suppression of ghost distances in multiple-spin double electron-electron resonance.
von Hagens T, Polyhach Y, Sajid M, Godt A, Jeschke G., Phys Chem Chem Phys 15(16), 2013
PMID: 23487036
Trityl radicals: spin labels for nanometer-distance measurements.
Reginsson GW, Kunjir NC, Sigurdsson ST, Schiemann O., Chemistry 18(43), 2012
PMID: 22996284
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
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
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
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
Recent advances in Sonogashira reactions.
Chinchilla R, Najera C., Chem Soc Rev 40(10), 2011
PMID: 21655588
Rotamer libraries of spin labelled cysteines for protein studies.
Polyhach Y, Bordignon E, Jeschke G., Phys Chem Chem Phys 13(6), 2011
PMID: 21116569
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

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Sources

PMID: 20590116
PubMed | Europe PMC

Search this title in

Google Scholar