Experimental and theoretical analysis of hydrogen bonding in two-dimensional chiral 4′,4′′′′-(1,4-Phenylene)bis(2,2′:6′,2″-terpyridine) self-assembled nanoarchitecture

Mura, Manuela and Silly, Fabien (2015) Experimental and theoretical analysis of hydrogen bonding in two-dimensional chiral 4′,4′′′′-(1,4-Phenylene)bis(2,2′:6′,2″-terpyridine) self-assembled nanoarchitecture. The Journal of Physical Chemistry C, 119 (48). pp. 27125-27130. ISSN 1932-7447

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Abstract

ABSTRACT: The two-dimensional self-assembly of 4′,4⁗- (1,4-phenylene)bis(2,2′:6′,2″-terpyridine) molecules is exper- imentally and theoretically investigated. Scanning tunneling microscopy (STM) shows that this molecular building block forms a compact chiral supramolecular network on graphite at the 1-octanol/graphite interface. The molecules adopt a side- by-side arrangement inside the organic domains. In contrast, the molecules are arranged perpendicularly at the domain boundary. Detailed theoretical analysis based on the density functional theory (DFT) shows that these arrangements are stabilized by double and single hydrogen bonds between pyridine groups. Only the molecular peripheral pyridine groups are involved in the hydrogen bonds stabilizing the long-range ordered molecular nanoarchitectures.

Keywords:Physical chemistry, NotOAChecked
Subjects:F Physical Sciences > F170 Physical Chemistry
Divisions:College of Science > School of Mathematics and Physics
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ID Code:20199
Deposited On:01 Feb 2016 18:51

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