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Title: Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy

The geometry and bonding of N-heterocyclic carbenes to metal surfaces depends on the substituents on the N-atoms.
Authors:
 [1] ; ORCiD logo [2] ; ORCiD logo [3] ; ORCiD logo [4] ; ORCiD logo [1] ;  [2] ;  [4] ; ORCiD logo [3] ;  [5] ; ORCiD logo [2] ; ORCiD logo [6]
  1. Department of Applied Physics and Applied Mathematics, Columbia University, New York, USA
  2. Department of Chemistry, Columbia University, New York, USA
  3. Center for Functional Nanomaterials, Brookhaven National Laboratory, New York, USA
  4. CNR-IOM Laboratorio Nazionale TASC, 34012 Trieste, Italy, Faculty of Mathematics and Physics, University of Ljubljana
  5. CNR-IOM Laboratorio Nazionale TASC, 34012 Trieste, Italy, Department of Physics, University of Trieste
  6. Department of Applied Physics and Applied Mathematics, Columbia University, New York, USA, Department of Chemistry
Publication Date:
Grant/Contract Number:
SC0012704
Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Name: Chemical Science Journal Volume: 10 Journal Issue: 3; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1481821

Lovat, Giacomo, Doud, Evan A., Lu, Deyu, Kladnik, Gregor, Inkpen, Michael S., Steigerwald, Michael L., Cvetko, Dean, Hybertsen, Mark S., Morgante, Alberto, Roy, Xavier, and Venkataraman, Latha. Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. United Kingdom: N. p., Web. doi:10.1039/C8SC03502D.
Lovat, Giacomo, Doud, Evan A., Lu, Deyu, Kladnik, Gregor, Inkpen, Michael S., Steigerwald, Michael L., Cvetko, Dean, Hybertsen, Mark S., Morgante, Alberto, Roy, Xavier, & Venkataraman, Latha. Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. United Kingdom. doi:10.1039/C8SC03502D.
Lovat, Giacomo, Doud, Evan A., Lu, Deyu, Kladnik, Gregor, Inkpen, Michael S., Steigerwald, Michael L., Cvetko, Dean, Hybertsen, Mark S., Morgante, Alberto, Roy, Xavier, and Venkataraman, Latha. 2019. "Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy". United Kingdom. doi:10.1039/C8SC03502D.
@article{osti_1481821,
title = {Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy},
author = {Lovat, Giacomo and Doud, Evan A. and Lu, Deyu and Kladnik, Gregor and Inkpen, Michael S. and Steigerwald, Michael L. and Cvetko, Dean and Hybertsen, Mark S. and Morgante, Alberto and Roy, Xavier and Venkataraman, Latha},
abstractNote = {The geometry and bonding of N-heterocyclic carbenes to metal surfaces depends on the substituents on the N-atoms.},
doi = {10.1039/C8SC03502D},
journal = {Chemical Science},
number = 3,
volume = 10,
place = {United Kingdom},
year = {2019},
month = {1}
}

Works referenced in this record:

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Organocatalysis by N-Heterocyclic Carbenes
journal, December 2007
  • Enders, Dieter; Niemeier, Oliver; Henseler, Alexander
  • Chemical Reviews, Vol. 107, Issue 12, p. 5606-5655
  • DOI: 10.1021/cr068372z