skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on February 4, 2021

Title: Electronic relaxation dynamics in [Au 25 (SR) 18 ] −1 (R = CH 3 , C 2 H 5 , C 3 H 7 , MPA, PET) thiolate-protected nanoclusters

Abstract

Excited state decay times in thiolate-stabilized gold nanoclusters exhibit a degree of dependence on the passivating ligand.

Authors:
 [1]; ORCiD logo [1]
  1. Department of Chemistry, Kansas State University, Manhattan, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1601509
Grant/Contract Number:  
[AC02-05CH11231; SC0012273]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
[Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 9]; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Senanayake, Ravithree D., and Aikens, Christine M. Electronic relaxation dynamics in [Au 25 (SR) 18 ] −1 (R = CH 3 , C 2 H 5 , C 3 H 7 , MPA, PET) thiolate-protected nanoclusters. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP04039K.
Senanayake, Ravithree D., & Aikens, Christine M. Electronic relaxation dynamics in [Au 25 (SR) 18 ] −1 (R = CH 3 , C 2 H 5 , C 3 H 7 , MPA, PET) thiolate-protected nanoclusters. United Kingdom. doi:10.1039/C9CP04039K.
Senanayake, Ravithree D., and Aikens, Christine M. Wed . "Electronic relaxation dynamics in [Au 25 (SR) 18 ] −1 (R = CH 3 , C 2 H 5 , C 3 H 7 , MPA, PET) thiolate-protected nanoclusters". United Kingdom. doi:10.1039/C9CP04039K.
@article{osti_1601509,
title = {Electronic relaxation dynamics in [Au 25 (SR) 18 ] −1 (R = CH 3 , C 2 H 5 , C 3 H 7 , MPA, PET) thiolate-protected nanoclusters},
author = {Senanayake, Ravithree D. and Aikens, Christine M.},
abstractNote = {Excited state decay times in thiolate-stabilized gold nanoclusters exhibit a degree of dependence on the passivating ligand.},
doi = {10.1039/C9CP04039K},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = [9],
volume = [22],
place = {United Kingdom},
year = {2020},
month = {3}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 4, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Ligand- and Solvent-Dependent Electronic Relaxation Dynamics of Au 25 (SR) 18 Monolayer-Protected Clusters
journal, October 2017

  • Yi, Chongyue; Zheng, Hongjun; Herbert, Patrick J.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 44
  • DOI: 10.1021/acs.jpcc.7b09347

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Catalysis with TiO 2 /Gold Nanocomposites. Effect of Metal Particle Size on the Fermi Level Equilibration
journal, April 2004

  • Subramanian, Vaidyanathan; Wolf, Eduardo E.; Kamat, Prashant V.
  • Journal of the American Chemical Society, Vol. 126, Issue 15
  • DOI: 10.1021/ja0315199

Photocatalysis of Au25-modified TiO2 under visible and near infrared light
journal, July 2010


The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
journal, October 2013

  • Akimov, Alexey V.; Prezhdo, Oleg V.
  • Journal of Chemical Theory and Computation, Vol. 9, Issue 11
  • DOI: 10.1021/ct400641n

Visible to Infrared Luminescence from a 28-Atom Gold Cluster
journal, April 2002

  • Link, Stephan; Beeby, Andrew; FitzGerald, Simon
  • The Journal of Physical Chemistry B, Vol. 106, Issue 13
  • DOI: 10.1021/jp014259v

Interstaple Dithiol Cross-Linking in Au 25 (SR) 18 Nanomolecules: A Combined Mass Spectrometric and Computational Study
journal, December 2011

  • Jupally, Vijay Reddy; Kota, Rajesh; Dornshuld, Eric Van
  • Journal of the American Chemical Society, Vol. 133, Issue 50
  • DOI: 10.1021/ja206436x

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


Theoretical Investigation of Electron and Nuclear Dynamics in the [Au 25 (SH) 18 ] −1 Thiolate-Protected Gold Nanocluster
journal, November 2016

  • Senanayake, Ravithree D.; Akimov, Alexey V.; Aikens, Christine M.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 20
  • DOI: 10.1021/acs.jpcc.6b09731

Transition from nanoparticle to molecular behavior: a femtosecond transient absorption study of a size-selected 28 atom gold cluster
journal, April 2002


Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
journal, October 2005


Excited-State Behavior of Luminescent Glutathione-Protected Gold Clusters
journal, December 2013

  • Stamplecoskie, Kevin G.; Chen, Yong-Siou; Kamat, Prashant V.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 2
  • DOI: 10.1021/jp410856h

An Ultrafast Look at Au Nanoclusters
journal, May 2013

  • Yau, Sung Hei; Varnavski, Oleg; Goodson, Theodore
  • Accounts of Chemical Research, Vol. 46, Issue 7
  • DOI: 10.1021/ar300280w

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Electrochemistry and Optical Absorbance and Luminescence of Molecule-like Au 38 Nanoparticles
journal, May 2004

  • Lee, Dongil; Donkers, Robert L.; Wang, Gangli
  • Journal of the American Chemical Society, Vol. 126, Issue 19
  • DOI: 10.1021/ja049605b

Femtosecond Relaxation Dynamics of Au 25 L 18 Monolayer-Protected Clusters
journal, May 2009

  • Miller, Stephen A.; Womick, Jordan M.; Parker, Joseph F.
  • The Journal of Physical Chemistry C, Vol. 113, Issue 22
  • DOI: 10.1021/jp9025046

Experimental and Density Functional Theory Analysis of Serial Introductions of Electron-Withdrawing Ligands into the Ligand Shell of a Thiolate-Protected Au 25 Nanoparticle
journal, April 2010

  • Parker, Joseph F.; Kacprzak, Katarzyna A.; Lopez-Acevedo, Olga
  • The Journal of Physical Chemistry C, Vol. 114, Issue 18
  • DOI: 10.1021/jp101265v

Decoherence-induced surface hopping
journal, December 2012

  • Jaeger, Heather M.; Fischer, Sean; Prezhdo, Oleg V.
  • The Journal of Chemical Physics, Vol. 137, Issue 22
  • DOI: 10.1063/1.4757100

Chemistry with ADF
journal, January 2001

  • te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.
  • Journal of Computational Chemistry, Vol. 22, Issue 9, p. 931-967
  • DOI: 10.1002/jcc.1056

Correlating the Crystal Structure of A Thiol-Protected Au25 Cluster and Optical Properties
journal, May 2008

  • Zhu, Manzhou; Aikens, Christine M.; Hollander, Frederick J.
  • Journal of the American Chemical Society, Vol. 130, Issue 18, p. 5883-5885
  • DOI: 10.1021/ja801173r

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters
journal, April 2015

  • Fernando, Amendra; Weerawardene, K. L. Dimuthu M.; Karimova, Natalia V.
  • Chemical Reviews, Vol. 115, Issue 12
  • DOI: 10.1021/cr500506r

Oxide-supported atomically precise gold nanocluster for catalyzing Sonogashira cross-coupling
journal, October 2013


Giant Gold−Glutathione Cluster Compounds:  Intense Optical Activity in Metal-Based Transitions
journal, March 2000

  • Schaaff, T. Gregory; Whetten, Robert L.
  • The Journal of Physical Chemistry B, Vol. 104, Issue 12
  • DOI: 10.1021/jp993691y

Metal-Cluster-Sensitized Solar Cells. A New Class of Thiolated Gold Sensitizers Delivering Efficiency Greater Than 2%
journal, June 2013

  • Chen, Yong-Siou; Choi, Hyunbong; Kamat, Prashant V.
  • Journal of the American Chemical Society, Vol. 135, Issue 24
  • DOI: 10.1021/ja403807f

Temperature-Dependent Photoluminescence of Structurally-Precise Quantum-Confined Au 25 (SC 8 H 9 ) 18 and Au 38 (SC 12 H 25 ) 24 Metal Nanoparticles
journal, September 2014

  • Green, Thomas D.; Yi, Chongyue; Zeng, Chenjie
  • The Journal of Physical Chemistry A, Vol. 118, Issue 45
  • DOI: 10.1021/jp505913j

Mixed quantum–classical dynamics
journal, January 1998


XSEDE: Accelerating Scientific Discovery
journal, September 2014

  • Towns, John; Cockerill, Timothy; Dahan, Maytal
  • Computing in Science & Engineering, Vol. 16, Issue 5
  • DOI: 10.1109/MCSE.2014.80

Geometric and Electronic Structure of Au 25 (SPhX) 18 (X = H, F, Cl, Br, CH 3 , and OCH 3 )
journal, August 2010

  • Aikens, Christine M.
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 17
  • DOI: 10.1021/jz1009828

Size-Dependent Excited State Behavior of Glutathione-Capped Gold Clusters and Their Light-Harvesting Capacity
journal, July 2014

  • Stamplecoskie, Kevin G.; Kamat, Prashant V.
  • Journal of the American Chemical Society, Vol. 136, Issue 31
  • DOI: 10.1021/ja505361n

Stable Au 25 (SR) 18 /TiO 2 Composite Nanostructure with Enhanced Visible Light Photocatalytic Activity
journal, August 2013

  • Yu, Changlin; Li, Gao; Kumar, Santosh
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 17
  • DOI: 10.1021/jz401447w

Ligand effects on the stability of thiol-stabilized gold nanoclusters: Au25(SR)18−, Au38(SR)24, and Au102(SR)44
journal, January 2012

  • Jung, Jaehoon; Kang, Sunwoo; Han, Young-Kyu
  • Nanoscale, Vol. 4, Issue 14
  • DOI: 10.1039/c2nr30501a

Supramolecular Functionalization and Concomitant Enhancement in Properties of Au 25 Clusters
journal, December 2013

  • Mathew, Ammu; Natarajan, Ganapati; Lehtovaara, Lauri
  • ACS Nano, Vol. 8, Issue 1
  • DOI: 10.1021/nn406219x

Crystal Structure of the Gold Nanoparticle [N(C 8 H 17 ) 4 ][Au 25 (SCH 2 CH 2 Ph) 18 ]
journal, March 2008

  • Heaven, Michael W.; Dass, Amala; White, Peter S.
  • Journal of the American Chemical Society, Vol. 130, Issue 12
  • DOI: 10.1021/ja800561b

Superatom State-Resolved Dynamics of the Au 25 (SC 8 H 9 ) 18 Cluster from Two-Dimensional Electronic Spectroscopy
journal, February 2016

  • Stoll, Tatjana; Sgrò, Enrico; Jarrett, Jeremy W.
  • Journal of the American Chemical Society, Vol. 138, Issue 6
  • DOI: 10.1021/jacs.5b12621

Unique Ultrafast Visible Luminescence in Monolayer-Protected Au 25 Clusters
journal, December 2010

  • Devadas, Mary Sajini; Kim, Junhyung; Sinn, Ekkehard
  • The Journal of Physical Chemistry C, Vol. 114, Issue 51
  • DOI: 10.1021/jp107033n

Photoelectrochemical analysis of size-dependent electronic structures of gold clusters supported on TiO2
journal, January 2012

  • Kogo, Atsushi; Sakai, Nobuyuki; Tatsuma, Tetsu
  • Nanoscale, Vol. 4, Issue 14
  • DOI: 10.1039/c2nr30480e

Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities
journal, September 2016


Relativistic regular two‐component Hamiltonians
journal, September 1993

  • Lenthe, E. van; Baerends, E. J.; Snijders, J. G.
  • The Journal of Chemical Physics, Vol. 99, Issue 6
  • DOI: 10.1063/1.466059

Substituent Effects on Redox Potentials and Optical Gap Energies of Molecule-like Au 38 (SPhX) 24 Nanoparticles
journal, August 2005

  • Guo, Rui; Murray, Royce W.
  • Journal of the American Chemical Society, Vol. 127, Issue 34
  • DOI: 10.1021/ja053119m

Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction
journal, January 2014

  • Akimov, Alexey V.; Prezhdo, Oleg V.
  • Journal of Chemical Theory and Computation, Vol. 10, Issue 2
  • DOI: 10.1021/ct400934c

Thiolate-Protected Au 25 Superatoms as Building Blocks: Dimers and Crystals
journal, April 2010

  • Akola, Jaakko; Kacprzak, Katarzyna A.; Lopez-Acevedo, Olga
  • The Journal of Physical Chemistry C, Vol. 114, Issue 38
  • DOI: 10.1021/jp1015438