Tuning the conformation of floppy molecules by charge transfer

Ioan Bâldea

RSC Adv., 2016, 6, 111903
DOI: 10.1039/C6RA23848C

Comment on “Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential” by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833

D. Aranda, J. Román-Pérez, I. López-Tocón, J. Soto, F. Avila and J. C. Otero

Phys. Chem. Chem. Phys., 2017, 19, 27888
DOI: 10.1039/C7CP03075D

An approach to the electronic structure of molecular junctions with metal clusters of atomic thickness

Daniel Aranda, Isabel López-Tocón, Juan Soto, Juan C. Otero and Francisco Avila

Phys. Chem. Chem. Phys., 2016, 18, 27179
DOI: 10.1039/C6CP05403J

SERS substrate fabrication for biochemical sensing: towards point-of-care diagnostics

Xiaojia Liu, Jiuchuan Guo, Yang Li, Bo Wang, Shikun Yang, Wenjun Chen, Xinggui Wu, Jinhong Guo and Xing Ma

J. Mater. Chem. B, 2021, 9, 8378
DOI: 10.1039/D1TB01299A

Sensitive and specific detection of explosives in solution and vapour by surface-enhanced Raman spectroscopy on silver nanocubes

Sultan Ben-Jaber, William J. Peveler, Raul Quesada-Cabrera, Christian W. O. Sol, Ioannis Papakonstantinou and Ivan P. Parkin

Nanoscale, 2017, 9, 16459
DOI: 10.1039/C7NR05057G

On the dual character of charged metal–molecule hybrids and the opposite behaviour of the forward and reverse CT processes

J. Roman-Perez, S. P. Centeno, M. R. López-Ramírez, J. F. Arenas, J. Soto, I. López-Tocón and J. C. Otero

Phys. Chem. Chem. Phys., 2014, 16, 22958
DOI: 10.1039/C4CP03984J

Cations-modified cluster model for density-functional theory simulation of potential dependent Raman scattering from surface complex/electrode systems

Song-Yuan Ding, Bi-Ju Liu, Qing-Ning Jiang, De-Yin Wu, Bin Ren, Xin Xu and Zhong-Qun Tian

Chem. Commun., 2012, 48, 4962
DOI: 10.1039/c2cc31441j

Emerging SERS biosensors for the analysis of cells and extracellular vesicles

Mohammad Tavakkoli Yaraki, Anastasiia Tukova and Yuling Wang

Nanoscale, 2022, 14, 15242
DOI: 10.1039/D2NR03005E

The electronic structure of metal–molecule hybrids in charged interfaces: surface-enhanced Raman selection rules derived from plasmon-like resonances

J. Román-Pérez, I. López-Tocón, J. L. Castro, J. F. Arenas, J. Soto and J. C. Otero

Phys. Chem. Chem. Phys., 2015, 17, 2326
DOI: 10.1039/C4CP04724A

Charge-transfer surface-enhanced resonance Raman spectra of benzene-like derivative compounds under the effect of an external electric field

Sahar Ashtari-Jafari, Mohammad Hassan Khodabandeh and Zahra Jamshidi

Phys. Chem. Chem. Phys., 2019, 21, 23996
DOI: 10.1039/C9CP05116C

How the electrode potential controls the selection rules of the charge transfer mechanism of SERS

Francisco Avila, Cristina Ruano, Isabel Lopez-Tocon, Juan F. Arenas, Juan Soto and Juan C. Otero

Chem. Commun., 2011, 47, 4213
DOI: 10.1039/c0cc05314g

Charge transfer at the nanoscale and the role of the out-of-plane vibrations in the selection rules of surface-enhanced Raman scattering

Daniel Aranda, Samuel Valdivia, Francisco J. Avila, Juan Soto, Juan C. Otero and Isabel López-Tocón

Phys. Chem. Chem. Phys., 2018, 20, 29430
DOI: 10.1039/C8CP05623D

Dual synergistic modulation of photo-induced electron transfer processes between molecules and gold nanopillars for ultrasensitive plasmon-enhanced Raman scattering

Iris B. Ansah, Daniel Aranda, Ho Sang Jung, Sung-Gyu Park, Mijeong Kang, Juan C. Otero and Dong-Ho Kim

J. Mater. Chem. C, 2021, 9, 8842
DOI: 10.1039/D1TC02163J

Application of surface-enhanced resonance Raman scattering (SERS) to the study of organic functional materials: electronic structure and charge transfer properties of 9,10-bis((E)-2-(pyridin-4-yl)vinyl)anthracene

Juan Soto, Elizabeth Imbarack, Isabel López-Tocón, Santiago Sánchez-Cortés, Juan C. Otero and Patricio Leyton

RSC Adv., 2019, 9, 14511
DOI: 10.1039/C9RA01269A

The chemical effect goes resonant – a full quantum mechanical approach on TERS

Kevin Fiederling, Mostafa Abasifard, Martin Richter, Volker Deckert, Stefanie Gräfe and Stephan Kupfer

Nanoscale, 2020, 12, 6346
DOI: 10.1039/C9NR09814C

Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential

Mozhdeh Mohammadpour, Mohammad Hassan Khodabandeh, Lucas Visscher and Zahra Jamshidi

Phys. Chem. Chem. Phys., 2017, 19, 7833
DOI: 10.1039/C6CP07585A

Surface-enhanced Raman spectroscopic study of p-aminothiophenol

Yi-Fan Huang, De-Yin Wu, Hong-Ping Zhu, Liu-Bin Zhao, Guo-Kun Liu, Bin Ren and Zhong-Qun Tian

Phys. Chem. Chem. Phys., 2012, 14, 8485
DOI: 10.1039/c2cp40558j

A surprising way to control the charge transport in molecular electronics: the subtle impact of the coverage of self-assembled monolayers of floppy molecules adsorbed on metallic electrodes

Ioan Bâldea

Faraday Discuss., 2017, 204, 35
DOI: 10.1039/C7FD00101K

Single-Molecule Raman Spectroscopy of a Pentacene Derivative Adsorbed on the Nonflat Surface of a Metallic Tip

Norihiro Aiga and Satoshi Takeuchi

J. Phys. Chem. C, 2022, 126, 16227
DOI: 10.1021/acs.jpcc.2c03067

Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 Calculations

Maria Rosa Lopez-Ramirez, Daniel Aranda Ruiz, Francisco José Avila Ferrer, Silvia P. Centeno, Juan F. Arenas, Juan C. Otero and Juan Soto

J. Phys. Chem. C, 2016, 120, 19322
DOI: 10.1021/acs.jpcc.6b05891

Computational investigations on the 4–cyanopyridine adsorbed on ZnO–graphene oxide nanocomposite toward the efficient performance of surface–enhanced Raman scattering

Qian Zhang, Rui Yang, Jie Li, Chunxia Pang and Bowen Chen

Diamond and Related Materials, 2023, 133, 109693
DOI: 10.1016/j.diamond.2023.109693

Insights into the binding interactions at the nano-bio interface: Electrode potential and wavelength dependence study

Ewa Pięta, Maria Rosa Lopez-Ramirez, Czesława Paluszkiewicz and Wojciech M. Kwiatek

Applied Surface Science, 2021, 562, 150228
DOI: 10.1016/j.apsusc.2021.150228

Surface-enhanced Raman spectroscopy (SERS): progress and trends

Dana Cialla, Anne März, René Böhme, Frank Theil, Karina Weber, Michael Schmitt and Jürgen Popp

Anal Bioanal Chem, 2012, 403, 27
DOI: 10.1007/s00216-011-5631-x

Arrays of Ag and Au Nanoparticles with Terpyridine- and Thiophene-Based Ligands: Morphology and Optical Responses

Markéta Prusková, Veronika Sutrová, Miroslav Šlouf, Blanka Vlčková, Jiří Vohlídal and Ivana Šloufová

Langmuir, 2017, 33, 4146
DOI: 10.1021/acs.langmuir.7b00126

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy

María Rosa López-Ramírez, Daniel Aranda, Isabel López-Tocón, Juan Soto, José Luis Castro and Juan Carlos Otero

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 246, 119048
DOI: 10.1016/j.saa.2020.119048

Franck–Condon Dominates the Surface-Enhanced Raman Scattering of 3-Methylpyridine: Propensity Rules of the Charge-Transfer Mechanism under Reduced Symmetry

Silvia P. Centeno, Isabel López-Tocón, Jessica Roman-Perez, Juan F. Arenas, Juan Soto and Juan C. Otero

J. Phys. Chem. C, 2012, 116, 23639
DOI: 10.1021/jp307015a

Theoretical Approaches for Modeling the Effect of the Electrode Potential in the SERS Vibrational Wavenumbers of Pyridine Adsorbed on a Charged Silver Surface

Daniel Aranda, Samuel Valdivia, Juan Soto, Isabel López-Tocón, Francisco J. Avila and Juan C. Otero

Front. Chem., 2019, 7
DOI: 10.3389/fchem.2019.00423

Huge Energy Gain in Metal-to-Molecule Charge Transfer Processes: A Combined Effect of an Electrical Capacitive Enhancement in Nanometer-Size Hot Spots and the Electronic Structure of the Surface Complex

Jessica Roman-Perez, Cristina Ruano, Silvia P. Centeno, Isabel López-Tocón, Juan F. Arenas, Juan Soto and Juan C. Otero

J. Phys. Chem. C, 2014, 118, 2718
DOI: 10.1021/jp412231w

Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism

Francisco García-González, Juan Carlos Otero, Francisco J. Ávila Ferrer, Fabrizio Santoro and Daniel Aranda

J. Chem. Theory Comput., 2024, 20, 3850
DOI: 10.1021/acs.jctc.4c00061

A Chiral‐Label‐Free SERS Strategy for the Synchronous Chiral Discrimination and Identification of Small Aromatic Molecules

Yue Wang, Xueqi Zhao, Zhi Yu, Zhangrun Xu, Bing Zhao and Yukihiro Ozaki

Angew Chem Int Ed, 2020, 59, 19079
DOI: 10.1002/anie.202007771

Surface-enhanced spectroscopy: Toward practical analysis probe

Jungho Mun, Dasol Lee, Sunae So, Trevon Badloe and Junsuk Rho

Applied Spectroscopy Reviews, 2019, 54, 142
DOI: 10.1080/05704928.2018.1467438

Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against ab Initio Calculations

Ioan Bâldea

J. Phys. Chem. A, 2017, 121, 2282
DOI: 10.1021/acs.jpca.6b12946

Evidence as conformational molecular switch of 1,4-bis(4-vinylpyridyl)benzene adsorbed on a nanostructured silver surface: A synergetic study of femtosecond transient absorption spectra, electrochemical SERS records and DFT calculations

Isabel López-Tocón, Miguel García-Castro and Juan Carlos Otero

Applied Surface Science, 2024, 675, 160962
DOI: 10.1016/j.apsusc.2024.160962

Surface-enhanced Raman spectroscopy for chemical and biological sensing using nanoplasmonics: The relevance of interparticle spacing and surface morphology

Vasyl Shvalya, Gregor Filipič, Janez Zavašnik, Ibrahim Abdulhalim and Uroš Cvelbar

Applied Physics Reviews, 2020, 7
DOI: 10.1063/5.0015246

Adsorption Geometry of Alizarin on Silver Nanoparticles: A Computational and Spectroscopic Study

Cristina Gellini, Marina Macchiagodena and Marco Pagliai

Nanomaterials, 2021, 11, 860
DOI: 10.3390/nano11040860

SERS investigation of neocuproine adsorption on silver: Influence of electrode potential on methyl groups

Elena V. Solovyeva, Assima Rakhimbekova, Yulia V. Lanchuk, Liubov A. Myund and Anna S. Denisova

J Raman Spectroscopy, 2018, 49, 207
DOI: 10.1002/jrs.5265

A Chiral‐Label‐Free SERS Strategy for the Synchronous Chiral Discrimination and Identification of Small Aromatic Molecules

Yue Wang, Xueqi Zhao, Zhi Yu, Zhangrun Xu, Bing Zhao and Yukihiro Ozaki

Angewandte Chemie, 2020, 132, 19241
DOI: 10.1002/ange.202007771

Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering

L.N. Furini, C.J.L. Constantino, S. Sanchez-Cortes, J.C. Otero and I. López-Tocón

Journal of Colloid and Interface Science, 2016, 465, 183
DOI: 10.1016/j.jcis.2015.11.045

Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistry

Ioan Bâldea

Chemical Physics, 2017, 482, 311
DOI: 10.1016/j.chemphys.2016.08.024

A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

Isabel López-Tocón, Samuel Valdivia, Juan Soto, Juan Carlos Otero, Francesco Muniz-Miranda, Maria Cristina Menziani and Maurizio Muniz-Miranda

Nanomaterials, 2019, 9, 1211
DOI: 10.3390/nano9091211

Toward Modeling the Complexity of the Chemical Mechanism in SERS

Imran Chaudhry, Gaohe Hu, Hepeng Ye and Lasse Jensen

ACS Nano, 2024, 18, 20835
DOI: 10.1021/acsnano.4c07198

Interpreting chemical enhancements of surface-enhanced Raman scattering

Ran Chen and Lasse Jensen

Chemical Physics Reviews, 2023, 4
DOI: 10.1063/5.0138501

Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential

Samuel Valdivia, Francisco García-González, Daniel Aranda, Francisco J. Ávila Ferrer, Isabel López-Tocón, Juan Soto and Juan Carlos Otero

J. Phys. Chem. C, 2024, 128, 12566
DOI: 10.1021/acs.jpcc.4c03084

Evidence of Deprotonation of Aromatic Acids and Amides Adsorbed on Silver Colloids by Surface-Enhanced Raman Scattering

José L. Castro, Maria R. Lopez-Ramirez, Juan F. Arenas, Juan Soto and Juan C. Otero

Langmuir, 2012, 28, 8926
DOI: 10.1021/la204702w

Are charged tips driving TERS-resolution? A full quantum chemical approach

K. Fiederling, S. Kupfer and S. Gräfe

The Journal of Chemical Physics, 2021, 154
DOI: 10.1063/5.0031763

Voltage tuning of photoinduced charge transfer resonances between 2,2′-bipyridine and a nanostructured silver electrode

Samuel Valdivia, Daniel Aranda, Juan Carlos Otero and Isabel López-Tocón

Applied Surface Science, 2024, 646, 158871
DOI: 10.1016/j.apsusc.2023.158871

Voltage selection of physisorbed or chemisorbed 4-cyanobenzoate on a nanostructured silver electrode and the dual electronic structure of charged metal–molecule hybrids

Samuel Valdivia, Francisco José Avila, Juan Carlos Otero and Isabel López-Tocón

Applied Surface Science, 2022, 579, 152071
DOI: 10.1016/j.apsusc.2021.152071

Proving the Dual Electronic Structure of Charged Metal-Molecule Interfaces: Surface-Enhanced Raman Scattering of Cyanide Adsorbed on a Nanostructured Silver Electrode

Samuel Valdivia, Daniel Aranda, Francisco José Avila Ferrer, Juan Soto, Isabel López-Tocón and Juan C. Otero

J. Phys. Chem. C, 2020, 124, 17632
DOI: 10.1021/acs.jpcc.0c04130

Surface-enhanced Raman scattering of picolinamide, nicotinamide, and isonicotinamide: Unusual carboxamide deprotonation under adsorption on silver nanoparticles

Jose L. Castro, Juan F. Arenas, Maria R. Lopez-Ramirez, Juan Soto and Juan C. Otero

Journal of Colloid and Interface Science, 2013, 396, 95
DOI: 10.1016/j.jcis.2013.01.050