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Probing Franck-Condon-like Excitations in Anchoring of Phthalocyanine Molecules on Au(111)

Title
Probing Franck-Condon-like Excitations in Anchoring of Phthalocyanine Molecules on Au(111)
Authors
Jeong, Yong ChanSong, Sang YongKim, Hyo WonShin, Hyung-JoonKang, JoongooSeo, Jungpil
DGIST Authors
Jeong, Yong Chan; Song, Sang Yong; Kang, Joongoo; Seo, Jungpil
Issue Date
2017
Citation
Journal of Physical Chemistry C, 121(32), 17402-17408
Type
Article
Article Type
Article
Keywords
Anomalous DipAtomic ForceAu (111)Bias VoltageCoupling EffectDensity Functional TheoryElectronic ExcitationFranck CondonMoleculesNitrogen CompoundsNuclear MotionsPhthalocyanine MoleculesReaction RatesScanning Tunneling Microscopy
ISSN
1932-7447
Abstract
The nuclear motions coupled with electronic excitations of reactants play an essential role in electron-induced chemical reactions. Here, we study the vibrational-electronic (vibronic) coupling effects in the anchoring of Ni-phthalocyanine molecules (NiPCs) on Au(111) using scanning tunneling microscopy. The anchoring occurs through the dehydrogenation of a C-H bond in NiPC by tunneling electrons. By counting the number of anchored molecules, we measure the reaction rate as a function of the bias voltage. We find an unexpected dip feature in the reaction rate near the bias voltage of 4.8 V. To understand this, we employ density functional theory calculations to study atomic force exerted on a NiPC by Franck-Condon-like excitations. We find the molecule anchoring is enhanced when the C-H bonds are stretched by the induced force, which is lacking for the bias voltage near 4.8 V and thus responsible for the anomalous dip in the reaction rate. © 2017 American Chemical Society.
URI
http://hdl.handle.net/20.500.11750/4456
DOI
10.1021/acs.jpcc.7b06158
Publisher
American Chemical Society
Files:
There are no files associated with this item.
Collection:
ETC1. Journal Articles
Emerging Materials ScienceNanospm Lab(Quantum Physics Research Group)1. Journal Articles


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