CyberinfraV1, Istex, Corpus, bibRecord, 000657

Controlling the non-resonant chemical mechanism of SERS using a molecular photoswitch

Identifieur interne : 000657 ( Istex/Corpus ); précédent : 000656; suivant : 000658

Controlling the non-resonant chemical mechanism of SERS using a molecular photoswitch

Auteurs : Seth Michael Morton ; Ebo Ewusi-Annan ; Lasse Jensen

Source :

Physical Chemistry Chemical Physics [ 1463-9076 ] ; 2009.

RBID : ISTEX:82597F292BC5CCB4738C4F0665642DD8B7805A46

Abstract

In this work we present a detailed investigation of the Raman properties of a dithienylethene photoswitch interacting with a small gold cluster (Au19+) using time-dependent density functional theory (TD-DFT). The enhancement mechanism (CHEM) due to the moleculesurface chemical coupling in surface-enhanced Raman scattering (SERS) has been characterized for this system. We demonstrate that it is possible to control the CHEM enhancement by switching the photoswitch from its closed form to its open form. The open form of the photoswitch is found to be the strongest Raman scatterer when adsorbed on the surface whereas the opposite is found for the free molecule. This trend is explained using a simple two-state approximation. In this model the CHEM enhancement scales roughly as (X/e)4, where X is the HOMOLUMO gap of the free molecule and e is an average excitation between the HOMO of the photoswitch and the LUMO of the metal. We propose that the ability of this photoswitch to switch reversibly from open to closed will make it an excellent probe to control the CHEM enhancement of SERS.

Url:

https://api.istex.fr/document/82597F292BC5CCB4738C4F0665642DD8B7805A46/fulltext/pdf

DOI: 10.1039/b904745j

Links to Exploration step

ISTEX:82597F292BC5CCB4738C4F0665642DD8B7805A46

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 <addrelt>University Park</addrelt>
 <city>PA</city>
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) using time-dependent density functional theory (TD-DFT). The enhancement mechanism (CHEM) due to the molecule–surface chemical coupling in surface-enhanced Raman scattering (SERS) has been characterized for this system. We demonstrate that it is possible to control the CHEM enhancement by switching the photoswitch from its closed form to its open form. The open form of the photoswitch is found to be the strongest Raman scatterer when adsorbed on the surface whereas the opposite is found for the free molecule. This trend is explained using a simple two-state approximation. In this model the CHEM enhancement scales roughly as (<it>ω</it>
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 <p>LJ acknowledges start-up funds from the Pennsylvania State University, and support received from Research Computing and Cyberinfrastructure, a unit of Information Technology Services at Penn State.</p>
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 <biblist>
 <citgroup id="cit1">
 <journalcit>
 <citauth>
 <fname>M.</fname>
 <surname>Fleishmann</surname>
 </citauth>
 <citauth>
 <fname>P. J.</fname>
 <surname>Hendra</surname>
 </citauth>
 <citauth>
 <fname>A. J.</fname>
 <surname>McQuilla</surname>
 </citauth>
 <title>Chem. Phys. Lett.</title>
 <year>1974</year>
 <volumeno>26</volumeno>
 <pages>
 <fpage>163</fpage>
 <lpage>166</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit2">
 <journalcit>
 <citauth>
 <fname>D. L.</fname>
 <surname>Jeanmaire</surname>
 </citauth>
 <citauth>
 <fname>R. P.</fname>
 <surname>Van Duyne</surname>
 </citauth>
 <title>J. Electroanal. Chem.</title>
 <year>1977</year>
 <volumeno>84</volumeno>
 <pages>
 <fpage>1</fpage>
 <lpage>20</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit3">
 <journalcit>
 <citauth>
 <fname>M. G.</fname>
 <surname>Albrecht</surname>
 </citauth>
 <citauth>
 <fname>J. A.</fname>
 <surname>Creighton</surname>
 </citauth>
 <title>J. Am. Chem. Soc.</title>
 <year>1977</year>
 <volumeno>99</volumeno>
 <pages>
 <fpage>5215</fpage>
 <lpage>5217</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit4">
 <journalcit>
 <citauth>
 <fname>M.</fname>
 <surname>Moskovits</surname>
 </citauth>
 <title>Rev. Mod. Phys.</title>
 <year>1985</year>
 <volumeno>57</volumeno>
 <pages>
 <fpage>783</fpage>
 <lpage>826</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit5">
 <journalcit>
 <citauth>
 <fname>A.</fname>
 <surname>Campion</surname>
 </citauth>
 <citauth>
 <fname>P.</fname>
 <surname>Kambpampati</surname>
 </citauth>
 <title>Chem. Soc. Rev.</title>
 <year>1998</year>
 <volumeno>27</volumeno>
 <pages>
 <fpage>241</fpage>
 <lpage>250</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit6">
 <journalcit>
 <citauth>
 <fname>L.</fname>
 <surname>Jensen</surname>
 </citauth>
 <citauth>
 <fname>C. M.</fname>
 <surname>Aikens</surname>
 </citauth>
 <citauth>
 <fname>G. C.</fname>
 <surname>Schatz</surname>
 </citauth>
 <title>Chem. Soc. Rev.</title>
 <year>2008</year>
 <volumeno>37</volumeno>
 <pages>
 <fpage>1061</fpage>
 <lpage>1073</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit7">
 <journalcit>
 <citauth>
 <fname>S.</fname>
 <surname>Link</surname>
 </citauth>
 <citauth>
 <fname>M. A.</fname>
 <surname>El-Sayed</surname>
 </citauth>
 <title>Annu. Rev. Phys. Chem.</title>
 <year>2003</year>
 <volumeno>54</volumeno>
 <pages>
 <fpage>331</fpage>
 <lpage>366</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit8">
 <journalcit>
 <citauth>
 <fname>K.</fname>
 <surname>Kneipp</surname>
 </citauth>
 <citauth>
 <fname>H.</fname>
 <surname>Kneipp</surname>
 </citauth>
 <citauth>
 <fname>I.</fname>
 <surname>Itzkan</surname>
 </citauth>
 <citauth>
 <fname>R. R.</fname>
 <surname>Dasari</surname>
 </citauth>
 <citauth>
 <fname>M. S.</fname>
 <surname>Feld</surname>
 </citauth>
 <title>Chem. Rev.</title>
 <year>1999</year>
 <volumeno>99</volumeno>
 <pages>
 <fpage>2957</fpage>
 <lpage>2976</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit9">
 <journalcit>
 <citauth>
 <fname>K.</fname>
 <surname>Kneipp</surname>
 </citauth>
 <citauth>
 <fname>Y.</fname>
 <surname>Wang</surname>
 </citauth>
 <citauth>
 <fname>H.</fname>
 <surname>Kneipp</surname>
 </citauth>
 <citauth>
 <fname>L. T.</fname>
 <surname>Perelman</surname>
 </citauth>
 <citauth>
 <fname>I.</fname>
 <surname>Itzkan</surname>
 </citauth>
 <citauth>
 <fname>R. R.</fname>
 <surname>Dasari</surname>
 </citauth>
 <citauth>
 <fname>M. S.</fname>
 <surname>Feld</surname>
 </citauth>
 <title>Phys. Rev. Lett.</title>
 <year>1997</year>
 <volumeno>78</volumeno>
 <pages>
 <fpage>1667</fpage>
 <lpage>1670</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit10">
 <citation type="book">
 <citauth>
 <fname>K.</fname>
 <surname>Kneipp</surname>
 </citauth>
, <citauth><fname>H.</fname>
<surname>Kneipp</surname>
</citauth>
 and <citauth><fname>H. G.</fname>
<surname>Bohr</surname>
</citauth>
, <title>Surface-Enhanced Raman Scattering—Physics and Applications</title>
, <citpub>Springer-Verlag</citpub>
, <pubplace>Berlin, Heidelberg, Germany</pubplace>
, <year>2006</year>
, ch. 12, vol. 103, <biblscope>pp. 261–278</biblscope>
</citation>
 </citgroup>
 <citgroup id="cit11">
 <journalcit>
 <citauth>
 <fname>C. R.</fname>
 <surname>Yonzon</surname>
 </citauth>
 <citauth>
 <fname>C. L.</fname>
 <surname>Haynes</surname>
 </citauth>
 <citauth>
 <fname>X.</fname>
 <surname>Zhang</surname>
 </citauth>
 <citauth>
 <fname>J. T.</fname>
 <surname>Walsh</surname>
 </citauth>
 <citauth>
 <fname>R. P.</fname>
 <surname>Van Duyne</surname>
 </citauth>
 <title>Anal. Chem.</title>
 <year>2004</year>
 <volumeno>76</volumeno>
 <pages>
 <fpage>78</fpage>
 <lpage>85</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit12">
 <journalcit>
 <citauth>
 <fname>D. A.</fname>
 <surname>Schultz</surname>
 </citauth>
 <title>Curr. Opin. Biotechnol.</title>
 <year>2003</year>
 <volumeno>14</volumeno>
 <pages>
 <fpage>13</fpage>
 <lpage>22</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit13">
 <journalcit>
 <citauth>
 <fname>Y. C.</fname>
 <surname>Cao</surname>
 </citauth>
 <citauth>
 <fname>R.</fname>
 <surname>Jin</surname>
 </citauth>
 <citauth>
 <fname>C. A.</fname>
 <surname>Mirkin</surname>
 </citauth>
 <title>Science</title>
 <year>2002</year>
 <volumeno>297</volumeno>
 <pages>
 <fpage>1536</fpage>
 <lpage>1540</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit14">
 <journalcit>
 <citauth>
 <fname>S. G.</fname>
 <surname>Penn</surname>
 </citauth>
 <citauth>
 <fname>L.</fname>
 <surname>He</surname>
 </citauth>
 <citauth>
 <fname>M. J.</fname>
 <surname>Natan</surname>
 </citauth>
 <title>Curr. Opin. Chem. Biol.</title>
 <year>2003</year>
 <volumeno>7</volumeno>
 <pages>
 <fpage>609</fpage>
 <lpage>615</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit15">
 <journalcit>
 <citauth>
 <fname>J. N.</fname>
 <surname>Anker</surname>
 </citauth>
 <citauth>
 <fname>W. P.</fname>
 <surname>Hall</surname>
 </citauth>
 <citauth>
 <fname>O.</fname>
 <surname>Lyandres</surname>
 </citauth>
 <citauth>
 <fname>N. C.</fname>
 <surname>Shah</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Zhao</surname>
 </citauth>
 <citauth>
 <fname>R. P.</fname>
 <surname>Van Duyne</surname>
 </citauth>
 <title>Nat. Mater.</title>
 <year>2008</year>
 <volumeno>7</volumeno>
 <pages>
 <fpage>442</fpage>
 <lpage>453</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit16">
 <citation type="book">
 <citauth>
 <fname>G. C.</fname>
 <surname>Schatz</surname>
 </citauth>
 and <citauth><fname>R. P.</fname>
<surname>Van Duyne</surname>
</citauth>
, <title>Handbook of Vibrational Spectroscopy</title>
, <citpub>John Wiley and Sons, Ltd</citpub>
, <year>2002</year>
, vol. 1, <biblscope>pp. 759–774</biblscope>
</citation>
 </citgroup>
 <citgroup id="cit17">
 <citation type="book">
 <citauth>
 <fname>G. C.</fname>
 <surname>Schatz</surname>
 </citauth>
, <citauth><fname>M. A.</fname>
<surname>Young</surname>
</citauth>
 and <citauth><fname>R. P.</fname>
<surname>Van Duyne</surname>
</citauth>
, <title>Surface-Enhanced Raman Scattering—Physics and Applications</title>
, <citpub>Springer-Verlag</citpub>
, <pubplace>Berlin, Heidelberg, Germany</pubplace>
, <year>2006</year>
, ch. 2, vol. 103, <biblscope>pp. 19–46</biblscope>
</citation>
 </citgroup>
 <citgroup id="cit18">
 <journalcit>
 <citauth>
 <fname>J.</fname>
 <surname>Lombardi</surname>
 </citauth>
 <citauth>
 <fname>R.</fname>
 <surname>Birke</surname>
 </citauth>
 <title>J. Phys. Chem. C</title>
 <year>2008</year>
 <volumeno>112</volumeno>
 <pages>
 <fpage>5605</fpage>
 <lpage>5617</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit19">
 <journalcit>
 <citauth>
 <fname>J.</fname>
 <surname>Li</surname>
 </citauth>
 <citauth>
 <fname>G.</fname>
 <surname>Speyer</surname>
 </citauth>
 <citauth>
 <fname>O. F.</fname>
 <surname>Sankey</surname>
 </citauth>
 <title>Phys. Rev. Lett.</title>
 <year>2004</year>
 <volumeno>93</volumeno>
 <pages>
 <fpage>248302</fpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit20">
 <journalcit>
 <citauth>
 <fname>L. N.</fname>
 <surname>Lucas</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>van Esch</surname>
 </citauth>
 <citauth>
 <fname>B. L.</fname>
 <surname>Feringa</surname>
 </citauth>
 <citauth>
 <fname>R. M.</fname>
 <surname>Kellogg</surname>
 </citauth>
 <title>Chem. Commun.</title>
 <year>2001</year>
 <pages>
 <fpage>759</fpage>
 <lpage>760</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit21">
 <journalcit>
 <citauth>
 <fname>V.</fname>
 <surname>Lemieux</surname>
 </citauth>
 <citauth>
 <fname>M. D.</fname>
 <surname>Spantulescu</surname>
 </citauth>
 <citauth>
 <fname>K. K.</fname>
 <surname>Baldridge</surname>
 </citauth>
 <citauth>
 <fname>N. R.</fname>
 <surname>Branda</surname>
 </citauth>
 <title>Angew. Chem., Int. Ed.</title>
 <year>2008</year>
 <volumeno>47</volumeno>
 <pages>
 <fpage>5034</fpage>
 <lpage>5037</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit22">
 <journalcit>
 <citauth>
 <fname>H. D.</fname>
 <surname>Samachetty</surname>
 </citauth>
 <citauth>
 <fname>N. R.</fname>
 <surname>Branda</surname>
 </citauth>
 <title>Chem. Commun.</title>
 <year>2005</year>
 <pages>
 <fpage>2840</fpage>
 <lpage>2842</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit23">
 <journalcit>
 <citauth>
 <fname>H. D.</fname>
 <surname>Samachetty</surname>
 </citauth>
 <citauth>
 <fname>V.</fname>
 <surname>Lemieux</surname>
 </citauth>
 <citauth>
 <fname>N. R.</fname>
 <surname>Branda</surname>
 </citauth>
 <title>Tetrahedron</title>
 <year>2008</year>
 <volumeno>64</volumeno>
 <pages>
 <fpage>8292</fpage>
 <lpage>8300</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit24">
 <journalcit>
 <citauth>
 <fname>A.</fname>
 <surname>Peters</surname>
 </citauth>
 <citauth>
 <fname>R.</fname>
 <surname>McDonald</surname>
 </citauth>
 <citauth>
 <fname>N. R.</fname>
 <surname>Branda</surname>
 </citauth>
 <title>Chem. Commun.</title>
 <year>2002</year>
 <pages>
 <fpage>2274</fpage>
 <lpage>2275</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit25">
 <journalcit>
 <citauth>
 <fname>A.</fname>
 <surname>Myles</surname>
 </citauth>
 <citauth>
 <fname>N.</fname>
 <surname>Branda</surname>
 </citauth>
 <title>Adv. Funct. Mater.</title>
 <year>2002</year>
 <volumeno>12</volumeno>
 <pages>
 <fpage>167</fpage>
 <lpage>173</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit26">
 <journalcit>
 <citauth>
 <fname>J. J. D.</fname>
 <surname>de Jong</surname>
 </citauth>
 <citauth>
 <fname>W. R.</fname>
 <surname>Browne</surname>
 </citauth>
 <citauth>
 <fname>M.</fname>
 <surname>Walko</surname>
 </citauth>
 <citauth>
 <fname>L. N.</fname>
 <surname>Lucas</surname>
 </citauth>
 <citauth>
 <fname>L. J.</fname>
 <surname>Barrett</surname>
 </citauth>
 <citauth>
 <fname>J. J.</fname>
 <surname>McGarvey</surname>
 </citauth>
 <citauth>
 <fname>J. H.</fname>
 <surname>van Esch</surname>
 </citauth>
 <citauth>
 <fname>B. L.</fname>
 <surname>Feringa</surname>
 </citauth>
 <title>Org. Biomol. Chem.</title>
 <year>2006</year>
 <volumeno>4</volumeno>
 <pages>
 <fpage>2387</fpage>
 <lpage>2392</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit27">
 <journalcit>
 <citauth>
 <fname>N.</fname>
 <surname>Katsonis</surname>
 </citauth>
 <citauth>
 <fname>T.</fname>
 <surname>Kudernac</surname>
 </citauth>
 <citauth>
 <fname>M.</fname>
 <surname>Walko</surname>
 </citauth>
 <citauth>
 <fname>S. J.</fname>
 <surname>van der Molen</surname>
 </citauth>
 <citauth>
 <fname>B. J.</fname>
 <surname>van Wees</surname>
 </citauth>
 <citauth>
 <fname>B. L.</fname>
 <surname>Feringa</surname>
 </citauth>
 <title>Adv. Mater.</title>
 <year>2006</year>
 <volumeno>18</volumeno>
 <pages>
 <fpage>1397</fpage>
 <lpage>1400</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit28">
 <journalcit>
 <citauth>
 <fname>S. M.</fname>
 <surname>Lindsay</surname>
 </citauth>
 <citauth>
 <fname>M. A.</fname>
 <surname>Ratner</surname>
 </citauth>
 <title>Adv. Mater.</title>
 <year>2007</year>
 <volumeno>19</volumeno>
 <pages>
 <fpage>23</fpage>
 <lpage>31</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit29">
 <journalcit>
 <citauth>
 <fname>J.</fname>
 <surname>He</surname>
 </citauth>
 <citauth>
 <fname>F.</fname>
 <surname>Chen</surname>
 </citauth>
 <citauth>
 <fname>P. A.</fname>
 <surname>Liddell</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Andreasson</surname>
 </citauth>
 <citauth>
 <fname>S. D.</fname>
 <surname>Straight</surname>
 </citauth>
 <citauth>
 <fname>D.</fname>
 <surname>Gust</surname>
 </citauth>
 <citauth>
 <fname>T. A.</fname>
 <surname>Moore</surname>
 </citauth>
 <citauth>
 <fname>A. L.</fname>
 <surname>Moore</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Li</surname>
 </citauth>
 <citauth>
 <fname>O. F.</fname>
 <surname>Sankey</surname>
 </citauth>
 <citauth>
 <fname>S. M.</fname>
 <surname>Lindsay</surname>
 </citauth>
 <title>Nanotechnology</title>
 <year>2005</year>
 <volumeno>16</volumeno>
 <pages>
 <fpage>695</fpage>
 <lpage>702</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit30">
 <journalcit>
 <citauth>
 <fname>S.</fname>
 <surname>Morton</surname>
 </citauth>
 <citauth>
 <fname>L.</fname>
 <surname>Jensen</surname>
 </citauth>
 <title>J. Am. Chem. Soc.</title>
 <year>2009</year>
 <volumeno>131</volumeno>
 <pages>
 <fpage>4090</fpage>
 <lpage>4098</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit31">
 <citation type="other">
 <url>ADF, http://www.scm.com</url>
, <year>2008</year>
</citation>
 </citgroup>
 <citgroup id="cit32">
 <journalcit>
 <citauth>
 <fname>G.</fname>
 <surname>Velde</surname>
 </citauth>
 <citauth>
 <fname>F.</fname>
 <surname>Bickelhaupt</surname>
 </citauth>
 <citauth>
 <fname>E.</fname>
 <surname>Baerends</surname>
 </citauth>
 <citauth>
 <fname>C.</fname>
 <surname>Guerra</surname>
 </citauth>
 <citauth>
 <fname>S.</fname>
 <surname>Van Gisbergen</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Snijders</surname>
 </citauth>
 <citauth>
 <fname>T.</fname>
 <surname>Ziegler</surname>
 </citauth>
 <title>J. Comput. Chem.</title>
 <year>2001</year>
 <volumeno>22</volumeno>
 <pages>
 <fpage>931</fpage>
 <lpage>967</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit33">
 <journalcit>
 <citauth>
 <fname>A. D.</fname>
 <surname>Becke</surname>
 </citauth>
 <title>Phys. Rev. A: At., Mol., Opt. Phys.</title>
 <year>1988</year>
 <volumeno>38</volumeno>
 <pages>
 <fpage>3098</fpage>
 <lpage>3100</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit34">
 <journalcit>
 <citauth>
 <fname>J. P.</fname>
 <surname>Perdew</surname>
 </citauth>
 <title>Phys. Rev. B: Condens. Matter Mater. Phys.</title>
 <year>1986</year>
 <volumeno>33</volumeno>
 <pages>
 <fpage>8822</fpage>
 <lpage>8824</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit35">
 <journalcit>
 <citauth>
 <fname>J.</fname>
 <surname>Doye</surname>
 </citauth>
 <citauth>
 <fname>D.</fname>
 <surname>Wales</surname>
 </citauth>
 <title>New J. Chem.</title>
 <year>1998</year>
 <volumeno>22</volumeno>
 <pages>
 <fpage>733</fpage>
 <lpage>744</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit36">
 <journalcit>
 <citauth>
 <fname>M.</fname>
 <surname>Reiher</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Neugebauer</surname>
 </citauth>
 <citauth>
 <fname>B.</fname>
 <surname>Hess</surname>
 </citauth>
 <title>Z. Phys. Chem.</title>
 <year>2003</year>
 <volumeno>217</volumeno>
 <pages>
 <fpage>91</fpage>
 <lpage>103</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit37">
 <journalcit>
 <citauth>
 <fname>L.</fname>
 <surname>Jensen</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Autschbach</surname>
 </citauth>
 <citauth>
 <fname>G. C.</fname>
 <surname>Schatz</surname>
 </citauth>
 <title>J. Chem. Phys.</title>
 <year>2005</year>
 <volumeno>122</volumeno>
 <pages>
 <fpage>224115</fpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit38">
 <journalcit>
 <citauth>
 <fname>L.</fname>
 <surname>Jensen</surname>
 </citauth>
 <citauth>
 <fname>L. L.</fname>
 <surname>Zhao</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Autschbach</surname>
 </citauth>
 <citauth>
 <fname>G. C.</fname>
 <surname>Schatz</surname>
 </citauth>
 <title>J. Chem. Phys.</title>
 <year>2005</year>
 <volumeno>123</volumeno>
 <pages>
 <fpage>174110</fpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit39">
 <journalcit>
 <citauth>
 <fname>J.</fname>
 <surname>Neugebauer</surname>
 </citauth>
 <citauth>
 <fname>M.</fname>
 <surname>Reiher</surname>
 </citauth>
 <citauth>
 <fname>C.</fname>
 <surname>Kind</surname>
 </citauth>
 <citauth>
 <fname>B.</fname>
 <surname>Hess</surname>
 </citauth>
 <title>J. Comput. Chem.</title>
 <year>2002</year>
 <volumeno>23</volumeno>
 <pages>
 <fpage>895</fpage>
 <lpage>910</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit40">
 <journalcit>
 <citauth>
 <fname>T.</fname>
 <surname>Ziegler</surname>
 </citauth>
 <citauth>
 <fname>A.</fname>
 <surname>Rauk</surname>
 </citauth>
 <title>Theor. Chim. Acta</title>
 <year>1977</year>
 <volumeno>46</volumeno>
 <pages>
 <fpage>1</fpage>
 <lpage>10</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit41">
 <journalcit>
 <citauth>
 <fname>T.</fname>
 <surname>Ziegler</surname>
 </citauth>
 <citauth>
 <fname>A.</fname>
 <surname>Rauk</surname>
 </citauth>
 <title>Inorg. Chem.</title>
 <year>1979</year>
 <volumeno>18</volumeno>
 <pages>
 <fpage>1558</fpage>
 <lpage>1565</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit42">
 <journalcit>
 <citauth>
 <fname>T.</fname>
 <surname>Ziegler</surname>
 </citauth>
 <citauth>
 <fname>A.</fname>
 <surname>Rauk</surname>
 </citauth>
 <title>Inorg. Chem.</title>
 <year>1979</year>
 <volumeno>18</volumeno>
 <pages>
 <fpage>1755</fpage>
 <lpage>1759</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit43">
 <citation type="book">
 <citauth>
 <fname>F. M.</fname>
 <surname>Bickelhaupt</surname>
 </citauth>
 and <citauth><fname>E. J.</fname>
<surname>Baerends</surname>
</citauth>
, in <title>Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry</title>
, ed. <editor>K. B. Lipkowitz</editor>
 and <editor>D. B. Boyd</editor>
, <citpub>Wiley-VCH</citpub>
, <pubplace>New York, NY</pubplace>
, <year>2000</year>
, ch. 1, vol. 16, <biblscope>pp. 1–86</biblscope>
</citation>
 </citgroup>
 <citgroup id="cit44">
 <journalcit>
 <citauth>
 <fname>A.</fname>
 <surname>Ulman</surname>
 </citauth>
 <title>Chem. Rev.</title>
 <year>1996</year>
 <volumeno>96</volumeno>
 <pages>
 <fpage>1533</fpage>
 <lpage>1554</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit45">
 <journalcit>
 <citauth>
 <fname>W.</fname>
 <surname>Andreoni</surname>
 </citauth>
 <citauth>
 <fname>A.</fname>
 <surname>Curioni</surname>
 </citauth>
 <citauth>
 <fname>H.</fname>
 <surname>Grönbeck</surname>
 </citauth>
 <title>Int. J. Quantum Chem.</title>
 <year>2000</year>
 <volumeno>80</volumeno>
 <pages>
 <fpage>598</fpage>
 <lpage>608</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit46">
 <journalcit>
 <citauth>
 <fname>L. H.</fname>
 <surname>Dubois</surname>
 </citauth>
 <citauth>
 <fname>R. G.</fname>
 <surname>Nuzzo</surname>
 </citauth>
 <title>Annu. Rev. Phys. Chem.</title>
 <year>1992</year>
 <volumeno>43</volumeno>
 <pages>
 <fpage>437</fpage>
 <lpage>463</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit47">
 <journalcit>
 <citauth>
 <fname>V. S.</fname>
 <surname>Tiwari</surname>
 </citauth>
 <citauth>
 <fname>T.</fname>
 <surname>Oleg</surname>
 </citauth>
 <citauth>
 <fname>G. K.</fname>
 <surname>Darbha</surname>
 </citauth>
 <citauth>
 <fname>W.</fname>
 <surname>Hardy</surname>
 </citauth>
 <citauth>
 <fname>J.</fname>
 <surname>Singh</surname>
 </citauth>
 <citauth>
 <fname>P. C.</fname>
 <surname>Ray</surname>
 </citauth>
 <title>Chem. Phys. Lett.</title>
 <year>2007</year>
 <volumeno>446</volumeno>
 <pages>
 <fpage>77</fpage>
 <lpage>82</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit48">
 <journalcit>
 <citauth>
 <fname>A.</fname>
 <surname>Dreuw</surname>
 </citauth>
 <citauth>
 <fname>J. L.</fname>
 <surname>Weisman</surname>
 </citauth>
 <citauth>
 <fname>M.</fname>
 <surname>Head-Gordon</surname>
 </citauth>
 <title>J. Chem. Phys.</title>
 <year>2003</year>
 <volumeno>119</volumeno>
 <pages>
 <fpage>2943</fpage>
 <lpage>2946</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit49">
 <journalcit>
 <citauth>
 <fname>B. G.</fname>
 <surname>Janesko</surname>
 </citauth>
 <citauth>
 <fname>A. V.</fname>
 <surname>Krukau</surname>
 </citauth>
 <citauth>
 <fname>G. E.</fname>
 <surname>Scuseria</surname>
 </citauth>
 <title>J. Chem. Phys.</title>
 <year>2008</year>
 <volumeno>129</volumeno>
 <pages>
 <fpage>124110</fpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit50">
 <journalcit>
 <citauth>
 <fname>C. A.</fname>
 <surname>Jimenez-Hoyos</surname>
 </citauth>
 <citauth>
 <fname>B. G.</fname>
 <surname>Janesko</surname>
 </citauth>
 <citauth>
 <fname>G. E.</fname>
 <surname>Scuseria</surname>
 </citauth>
 <title>Phys. Chem. Chem. Phys.</title>
 <year>2008</year>
 <volumeno>10</volumeno>
 <pages>
 <fpage>6621</fpage>
 <lpage>6629</lpage>
 </pages>
 </journalcit>
 </citgroup>
 <citgroup id="cit51">
 <journalcit>
 <citauth>
 <fname>W.</fname>
 <surname>Humphrey</surname>
 </citauth>
 <citauth>
 <fname>A.</fname>
 <surname>Dalke</surname>
 </citauth>
 <citauth>
 <fname>K.</fname>
 <surname>Schulten</surname>
 </citauth>
 <title>J. Mol. Graphics</title>
 <year>1996</year>
 <volumeno>14</volumeno>
 <pages>
 <fpage>33</fpage>
 <lpage>38</lpage>
 </pages>
 </journalcit>
 </citgroup>
 </biblist>
 <compoundgrp>
 </compoundgrp>
 </art-back>
</article>
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<titleInfo type="alternative" contentType="CDATA"><title>Controlling the non-resonant chemical mechanism of SERS using a molecular photoswitch</title>
</titleInfo>
<name type="personal"><namePart type="given">Seth Michael</namePart>
<namePart type="family">Morton</namePart>
<affiliation>Department of Chemistry, The Pennsylvania State University, 16802-4615, 104 Chemistry Building, University Park, PA, USA</affiliation>
<affiliation>E-mail: jensen@chem.psu.edu</affiliation>
</name>
<name type="personal"><namePart type="given">Ebo</namePart>
<namePart type="family">Ewusi-Annan</namePart>
<affiliation>Department of Chemistry, The Pennsylvania State University, 16802-4615, 104 Chemistry Building, University Park, PA, USA</affiliation>
<affiliation>E-mail: jensen@chem.psu.edu</affiliation>
</name>
<name type="personal"><namePart type="given">Lasse</namePart>
<namePart type="family">Jensen</namePart>
<affiliation>Department of Chemistry, The Pennsylvania State University, 16802-4615, 104 Chemistry Building, University Park, PA, USA</affiliation>
<affiliation>E-mail: jensen@chem.psu.edu</affiliation>
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<originInfo><publisher>The Royal Society of Chemistry.</publisher>
<dateIssued encoding="w3cdtf">2009</dateIssued>
<copyrightDate encoding="w3cdtf">2009</copyrightDate>
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<abstract>In this work we present a detailed investigation of the Raman properties of a dithienylethene photoswitch interacting with a small gold cluster (Au19+) using time-dependent density functional theory (TD-DFT). The enhancement mechanism (CHEM) due to the moleculesurface chemical coupling in surface-enhanced Raman scattering (SERS) has been characterized for this system. We demonstrate that it is possible to control the CHEM enhancement by switching the photoswitch from its closed form to its open form. The open form of the photoswitch is found to be the strongest Raman scatterer when adsorbed on the surface whereas the opposite is found for the free molecule. This trend is explained using a simple two-state approximation. In this model the CHEM enhancement scales roughly as (X/e)4, where X is the HOMOLUMO gap of the free molecule and e is an average excitation between the HOMO of the photoswitch and the LUMO of the metal. We propose that the ability of this photoswitch to switch reversibly from open to closed will make it an excellent probe to control the CHEM enhancement of SERS.</abstract>
<note>A photoswitch can control the non-resonant chemical mechanism in SERS by altering its HOMOLUMO gap.</note>
<relatedItem type="host"><titleInfo><title>Physical Chemistry Chemical Physics</title>
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<titleInfo type="abbreviated"><title>Phys. Chem. Chem. Phys.</title>
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<genre type="journal">journal</genre>
<originInfo><publisher>The Royal Society of Chemistry.</publisher>
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<identifier type="ISSN">1463-9076</identifier>
<identifier type="eISSN">1463-9084</identifier>
<identifier type="coden">PPCPFQ</identifier>
<identifier type="RSC sercode">CP</identifier>
<part><date>2009</date>
<detail type="volume"><caption>vol.</caption>
<number></number>
</detail>
<detail type="issue"><caption>no.</caption>
<number>34</number>
</detail>
<extent unit="pages"><start>7424</start>
<end>7429</end>
<total>6</total>
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<identifier type="DOI">10.1039/b904745j</identifier>
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Controlling the non-resonant chemical mechanism of SERS using a molecular photoswitch

Controlling the non-resonant chemical mechanism of SERS using a molecular photoswitch

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