The DOI matches its Crossref record; 57 of the 57 references it cites were found in a registry or an index.
Controlling Conformations of Conjugated Polymers and Small Molecules: The Role of Nonbonding Interactions
Abstract
The chemical variety present in the organic electronics literature has motivated us to investigate potential nonbonding interactions often incorporated into conformational "locking" schemes. We examine a variety of potential interactions, including oxygen-sulfur, nitrogen-sulfur, and fluorine-sulfur, using accurate quantum-chemical wave function methods and noncovalent interaction (NCI) analysis on a selection of high-performing conjugated polymers and small molecules found in the literature. In addition, we evaluate a set of nonbonding interactions occurring between various heterocyclic and pendant atoms taken from a group of representative π-conjugated molecules. Together with our survey and set of interactions, it is determined that while many nonbonding interactions possess weak binding capabilities, nontraditional hydrogen-bonding interactions, oxygen-hydrogen (CH···O) and nitrogen-hydrogen (CH···N), are alone in inducing conformational control and enhanced planarity along a polymer or small molecule backbone at room temperature.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Boys, S. F., & Bernardi, F. (1970) · Molecular Physics · doi:10.1080/00268977000101561 · Cited by 22,188
van der Waals Volumes and Radii
Bondi, A. (1964) · The Journal of Physical Chemistry · doi:10.1021/j100785a001 · Cited by 19,350
Jorgensen, W. L., Maxwell, D. S., & Tirado-Rives, J. (1996) · Journal of the American Chemical Society · doi:10.1021/ja9621760 · Cited by 15,409
Breneman, C. M., & Wiberg, K. B. (1990) · Journal of Computational Chemistry · doi:10.1002/jcc.540110311 · Cited by 4,790
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Contreras-García, J., Johnson, E. R., Keinan, S., Chaudret, R., Piquemal, J.-P., Beratan, D. N., & Yang, W. (2011) · Journal of Chemical Theory and Computation · doi:10.1021/ct100641a · Cited by 4,076
Liang, Y., Xu, Z., Xia, J., Tsai, S., Wu, Y., Li, G., Ray, C., & Yu, L. (2010) · Advanced Materials · doi:10.1002/adma.200903528 · Cited by 3,649
Atoms in Molecules — a Quantum Theory
Orville-Thomas, W. J. (1996) · Journal of Molecular Structure: THEOCHEM · doi:10.1016/s0166-1280(96)90925-2 · Cited by 2,826
Advances in methods and algorithms in a modern quantum chemistry program package
Shao, Y., Molnar, L. F., Jung, Y., Kussmann, J., Ochsenfeld, C., Brown, S. T., Gilbert, A. T. B., Slipchenko, L. V., Levchenko, S. V., O’Neill, D. P., et al. (2006) · Phys. Chem. Chem. Phys. · doi:10.1039/b517914a · Cited by 2,799
Challenges for Density Functional Theory
Cohen, A. J., Mori-Sánchez, P., & Yang, W. (2012) · Chemical Reviews · doi:10.1021/cr200107z · Cited by 2,541
Insights into Current Limitations of Density Functional Theory
Cohen, A. J., Mori-Sánchez, P., & Yang, W. (2008) · Science · doi:10.1126/science.1158722 · Cited by 2,527
Cited by
Organic and Polymeric Semiconductors Enhanced by Noncovalent Conformational Locks
Huang, H., Yang, L., Facchetti, A., & Marks, T. J. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00084 · Cited by 804
A Survey of the Role of Noncovalent Sulfur Interactions in Drug Design
Beno, B. R., Yeung, K.-S., Bartberger, M. D., Pennington, L. D., & Meanwell, N. A. (2015) · Journal of Medicinal Chemistry · doi:10.1021/jm501853m · Cited by 772
Yao, J., Yu, C., Liu, Z., Luo, H., Yang, Y., Zhang, G., & Zhang, D. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.5b09737 · Cited by 316
Non-fullerene small molecule acceptors based on perylene diimides
Liu, Z., Wu, Y., Zhang, Q., & Gao, X. (2016) · Journal of Materials Chemistry A · doi:10.1039/c6ta06978a · Cited by 316
Metadata
- Authors
- Jackson, N. E., Savoie, B. M., Kohlstedt, K. L., Olvera de la Cruz, M., Schatz, G. C., Chen, L. X., & Ratner, M. A.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-07-09
- Volume
- 135
- Issue
- 28
- Pages
- 10475-10483
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2312925397
- Cited by
- 444
- References
- 57
- FWCI
- 25.86
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.