Mapping the force field of a hydrogen-bonded assembly

Nature Communications

Volumn 5, Issue , 2014, Pages

  Sweetman, A M ^a   Jarvis, S P ^a   Sang, Hongqian ^b,c   Lekkas, I ^a   Rahe, P ^d   Wang, Yu ^b   Wang, Jianbo ^b   Champness, N R ^a   Kantorovich, L ^c   Moriarty, P ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

^b WUHAN UNIVERSITY   (China)

^c KING'S COLLEGE LONDON   (United Kingdom)

^d UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

NAPHTHALENE DERIVATIVE; NAPHTHALENE TETRACARBOXYLIC DIIMIDE; UNCLASSIFIED DRUG;

CHEMICAL BONDING; DNA; ELECTRIC FIELD; IMAGING METHOD; MICROSCOPY; SIMULATION; TWO-DIMENSIONAL MODELING;

ARTICLE; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; DYNAMIC FORCE MICROSCOPY; FORCE; FORCE FIELD; HYDROGEN BOND; MICROSCOPY; QUANTITATIVE ANALYSIS;

EID: 84901774231     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms4931     Document Type: Article

References (31)

1. Ball, P. Beyond the bond. Nature 469, 26-28 (2011).
2. Hoffman, R. Quoted in chemical connections. Chem. Eng. News 36, 28-33 (2013).
3. Gilli, P. & Gilli, G. The Nature of the Hydrogen Bond (Oxford University Press, 2009).
4. Arunan, E. et al. Defining the hydrogen bond: an account (IUPAC technical review. Pure. Appl. Chem. 83, 1619-1636 (2011).
5. Steiner, T. The hydrogen bond in the solid state. Angew. Chem. Int. Ed. 41, 48-76 (2002). (Pubitemid 34081196)
6. Göwacki, E. D., Irimia-Vlad, M., Bauer, S. & Sariciftci, N. S. J. Mater. Chem. B 1, 3742-3753 (2013).
7. Pihko, P. M. (ed.) Hydrogen Bonding in Organic Synthesis (Wiley, 2009).
8. Ciesielski, C. et al. Concentration-dependent supramolecular engineering of hydrogen-bonded nanostructures at surfaces: predicting self-assembly in 2D. J. Am. Chem. Soc. 135, 6942-6950 (2013).
9. Theobald, J. A., Oxtoby, N. S., Phillips, M. A., Champness, N. R. & Beton, P. H. Controlling molecular deposition and layer structure with supramolecular surface assemblies. Nature 424, 1029-1031 (2003). (Pubitemid 37064298)
10. Grill, L. et al. Nano-architectures by covalent assembly of molecular building blocks. Nat. Nanotechnol. 2, 687-691 (2007). (Pubitemid 350071067)
11. Mali, K. S., Lava, K., Binnemans, K. & De Feyter, S. Hydrogen bonding versus van der Waals interactions: competitive influence of noncovalent interactions on 2D self-assembly at the liquid-solid interface. Chem. Eur. J. 16, 14447- 14458 (2010).
12. Giessibl, F. J. Advances in atomic force microscopy. Rev. Mod. Phys. 75, 949-983 (2003). (Pubitemid 37249573)
13. Gross, L., Mohn, F., Moll, N., Liljeroth, P. & Meyer, G. The chemical structure of a molecule resolved by atomic force microscopy. Science 325, 1110-1114 (2009).
14. Zhang, J. et al. Real-space identification of intermolecular bonding with atomic force microscopy. Science 342, 611-614 (2013).
15. Temirov, R., Soubatch, S., Neucheva, O., Lassise, A. C. & Tautz, F. S. A novel method of achieving ultra-high geometrical resolution in scanning tunnelling microscopy. New J. Phys. 10, 053012 (2008).
16. Kichin, G., Weiss, C., Wagner., C., Tautz, F. S. & Temirov, R. Single molecule and single atom sensors for atomic revolution imaging of chemically complex surfaces. J. Am. Chem. Soc. 133, 16847-16851 (2011).
17. Weiss, C., Wagner, C., Temirov, R. & Tautz, F. S. Direct imaging of intermolecular bonds in scanning tunneling microscopy. J. Am. Chem. Soc. 132, 11864-11865 (2010).
18. Weiss, C. et al. Imaging Pauli repulsion in scanning tunneling microscopy. Phys. Rev. Lett. 105, 086103 (2010).
19. Gross, L. et al. Bond-order discrimination by atomic force microscopy. Science 337, 1326-1329 (2012).
20. Hapala, P., Kichin, G., Tautz, S., Temirov, R. & Jelinek, P. Observation of sharp apparent intermolecular bonds in AFM and STM experiments. Abstracts of DPG Spring Meeting 2014 and private communication http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/o/ session/48/contribution/8.
21. Keeling, D. L. et al. Assembly and processing of hydrogen bond induced supramolecular nanostructures. Nano. Lett 3, 9-12 (2003). (Pubitemid 37161842)
22. Perdigão, L. M. A. et al. Coadsorbed NTCDI-melamine mixed phases on Ag-Si(111). Phys. Rev. B 76, 245402 (2007).
23. Rahe, P. et al. Flexible drift-compensation system for precise 3D force mapping in severe drift environments Rev. Rev. Sci. Instrum. 82, 063704 (2011).
24. Gross, L. et al. Organic structure determination using atomic-resolution scanning probe microscopy. Nat. Chem. 2, 821-825 (2010).
25. Weymouth, A. J., Hofmann, T. & Giessibl, F. J. Quantifying molecular stiffness and interaction with lateral force microscopy. Science 343, 1120-1122 (2013).
26. Mohn., F. et al. Different tips for high-resolution atomic force microscopy and scanning tunneling microscopy of single molecules. Appl. Phys. Lett. 102, 073109 (2013).
27. Hutter, J., Iannuzzi, M., Schiffmann, F. & VandeVondele, J. CP2K: atomistic simulations of condensed matter systems. Comput. Mol. Sci. 4, 15-25 (2014).
28. VandeVondele, J. et al. QUICKSTEP: fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Comput. Phys. Commun. 167, 103-128 (2005). (Pubitemid 40391124)
29. Perdew, J. P. et al. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).
30. Grimme, S., Ehrlich, S. & Goerigk, L. A Consistent and Accurate ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu. J. Chem. Phys. 132, 154104 (2010).
31. Kokalj, A. Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale. Comp. Mater. Sci. 28, 155-168 (2003); Code available from http://www.xcrysden.org/.