bei Google ScholarTitelangaben
Miller, Daniel P. ; Costa, Paulo S. ; Teeter, Jacob D. ; Sinitskii, Alexander ; Enders, Axel ; Hooper, James:
Seeking Out Heterogeneous Hydrogen Bonding in a Self-Assembled 2D Cocrystal of Croconic Acid and Benzimidazole on Au(111).
In: The Journal of Physical Chemistry C.
Bd. 125
(2021)
Heft 4
.
- S. 2403-2410.
ISSN 1932-7455
DOI: https://doi.org/10.1021/acs.jpcc.0c08483
Abstract
A two-dimensional (2D) hydrogen-bonded cocrystal was synthesized from croconic acid (CA) and benzimidazole (BI) on a gold surface under ultrahigh vacuum conditions. The network domains have a 1:1 CA/BI stoichiometry, can be synthesized over a range of temperatures, and contain one-dimensional chains of molecules connected by heterogeneous hydrogen bonds. Density functional theory (DFT) computations suggest that a tautomeric salt-like structure, with deprotonated CA and protonated BI, is the most stable model, which creates heterogeneous N–H···O contacts instead of N···H–O ones. The homogeneity of the network’s appearance in scanning tunneling microscopy (STM) and a habitual change in the STM features under certain tip conditions indicate that there is an equilibrium of tautomeric molecular states that may be influenced to some degree by STM stimuli. Overall, this study demonstrates how careful consideration of the precursor molecules can tune the architecture within a family of cocrystal networks and introduce desired bonding motifs that haven’t been achieved by solution-based synthesis for these species, such as the heterogeneous hydrogen bonds herein.
Weitere Angaben
| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Institutionen der Universität: | Fakultäten > Fakultät für Mathematik, Physik und Informatik > Physikalisches Institut > Lehrstuhl Experimentalphysik XI - Funktionelle Nanostrukturen Fakultäten > Fakultät für Mathematik, Physik und Informatik > Physikalisches Institut > Lehrstuhl Experimentalphysik XI - Funktionelle Nanostrukturen > Lehrstuhl Experimentalphysik XI - Funktionelle Nanostrukturen - Univ.-Prof. Dr. Axel Enders Fakultäten Fakultäten > Fakultät für Mathematik, Physik und Informatik Fakultäten > Fakultät für Mathematik, Physik und Informatik > Physikalisches Institut |
| Titel an der UBT entstanden: | Ja |
| Themengebiete aus DDC: | 500 Naturwissenschaften und Mathematik > 530 Physik |
| Eingestellt am: | 29 Jan 2021 11:51 |
| Letzte Änderung: | 23 Feb 2022 13:56 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/62555 |