Normal modes of Au25(SCH3)-18, Ag12Au13(SCH3)-18 and Ag25(SCH3)-18 clusters

Molecular Simulation

Volumn 39, Issue 5, 2013, Pages 428-431

  Tlahuice Flores, A ^a  

^a UNIVERSITY OF TEXAS AT SAN ANTONIO   (United States)

Author keywords

density functional theory; gold 25; infrared; normal modes; thiolated gold clusters

Indexed keywords

GOLD CLUSTERS; GRADIENT APPROXIMATION; IR SPECTRUM; NORMAL MODES; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY; GOLD; INFRARED RADIATION; GOLD COMPOUNDS;

GOLD COMPOUNDS; DENSITY FUNCTIONAL THEORY;

EID: 84876043253     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2012.738296     Document Type: Article

References (17)

1. J. Akola, M. Walter, R.L. Whetten, H. Häkkinen, and H. Grönbeck, On the structure of thiolate-protected Au25, J. Am. Chem. Soc. 130 (2008), pp. 3756-3757.
2. M. Zhu, C.M. Aikens, F.J. Hollander, G.C. Schatz, and R. Jin, Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties, J. Am. Chem. Soc. 130 (2008), pp. 5883-5885.
3. M.W. Heaven, A. Dass, P.S. White, K.M. Holt, and R.W. Murray, Crystal structure of the gold nanoparticle [N(C8H17)4][Au25(SCH2-CH2Ph)18], J. Am. Chem. Soc. 130 (2008), pp. 3754-3755.
4. Y. Negishi, T. Iwai, and M. Ide, Continuous modulation of electronic structure of stable thiolate-protected Au25 cluster by Ag doping, Chem. Commun. 46 (2010), pp. 4713-4715.
5. N. Cathcart, P. Mistry, Ch. Makra, B. Pietrobon, N. Coombs, M. Jelokhani-Niaraki, and V. Kitaev, Chiral thiol-stabilized silver nanoclusters with well-resolved optical transitions synthesized by a facile etching procedure in aqueous solutions, Langmuir 25(10) (2009), pp. 5840-5846.
6. M.J. Hostetler, J.J. Stokes, and R.W. Murray, Infrared spectroscopy of three-dimensional self-assembled monolayers: N-alkanethiolate monolayers on gold cluster compounds, Langmuir 12 (1996), pp. 3604-3612.
7. J. Petroski, M. Chou, and C. Creutz, The coordination chemistry of gold surfaces: Formation and far-infrared spectra of alkanethiolatecapped gold nanoparticles, J. Organomet. Chem. 694 (2009), pp. 1138-1143.
8. R.G. Nuzzo, B.R. Zegarski, and L.H. Dubois, Fundamental studies of the chemisorption of organosulfur compounds on gold(111). Implications for molecular self-assembly on gold surfaces, J. Am. Chem. Soc. 109 (1987), pp. 733-740.
9. J.P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (1996), pp. 3865-3868.
10. C.A. Jiménez-Hoyos, G. Benjamin Janesko, and G.E. Scuseria, Evaluation of range-separated hybrid density functionals for the prediction of vibrational frequencies, infrared intensities, and Raman activities, Phys. Chem. Chem. Phys. 10 (2008), pp. 6621-6629.
11. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, GAUSSIAN 03, Revision E.01, Gaussian, Inc., Wallingford, CT, 2004.
12. A. Tlahuice and I.L. Garzón, On the structure of the Au18(SR)14 cluster, Phys. Chem. Chem. Phys. 14 (2012), pp. 3737-3740.
13. A. Tlahuice and I.L. Garzón, Structural, electronic, optical, and chiroptical properties of small thiolated gold clusters: The case of Au6 and Au8 cores protected with dimer [Au2(SR)3] and trimer [Au3(SR)4)] motifs, Phys. Chem. Chem. Phys. 14 (2012), pp. 7321-7329.
14. S.A. Miller, J.M. Womick, J.F. Parker, R.W. Murray, and A.M. Moran, Femtosecond relaxation dynamics of Au25L2 18 monolayerprotected clusters, J. Phys. Chem. C 113 (2009), pp. 9440-9444.
15. H. Qian, M.Y. Sfeir, and R. Jin, Ultrafast relaxation dynamics of [Au25(SR)18]q nanoclusters: Effects of charge state, J. Phys. Chem. C 114 (2010), pp. 19935-19940.
16. A.M. Kelley, Resonance Raman and resonance hyper-Raman intensities: Structure and dynamics of molecular excited states in solution, J. Phys. Chem. A 112 (2008), pp. 11975-11991.
17. R.C. Price and R.L. Whetten, Raman spectroscopy of benzenethiolates on nanometer-scale gold clusters, J. Phys. Chem. B 110 (2006), pp. 22166-22171.]