The isolation of single MMX chains from solution: Unravelling the assembly-disassembly process

Mohammad Reza Azani, Alejandro Pérez Paz, Cristina Hermosa, Gonzalo Givaja, Julio Gõmez-Herrero, Rubén Mas-Ballesté, Felix Zamora, Angel Rubio

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)

Abstract

Herein, we provide a systematic theoretical and experimental study of the structural and optical properties of MMX (M=metal, X=halide) chains. The influence of solvent, temperature, and concentration has been analyzed to find suitable parameters for initial building-block associations in solution. By using density functional calculations, we have computed the dissociation energy of different MMX oligomers (up to the tetramer) in the gas phase. On the basis of these findings, we discuss the most likely disassembly scenario and propose a new interpretation of these compounds. We also calculated the charge redistribution that occurs upon MM+XMMX binding in vacuum. Time-dependent density functional theory (TDDFT) is used to calculate the UV/visible spectra of different MMX chains up to the tetramer in the gas phase. The implications of these theoretical findings in the analysis of our experiments are discussed in the text. The overall body of data presented suggests a new way of looking at such linear structures. By taking into account these new data, we have been able to isolate single/few MMX chains on mica. A systematic theoretical and experimental study of the structural and optical properties of MMX (M=metal, X=halide) chains provides a new way of looking at such linear structures. The control of the experimental parameters has enabled the isolation of single/few MMX chains on mica (see picture). The formation of these nanostructures from solution offers a much higher potential toward applications of MMX chains as molecular wires.

Original languageEnglish
Pages (from-to)15518-15529
Number of pages12
JournalChemistry - A European Journal
Volume19
Issue number46
DOIs
Publication statusPublished - Nov 11 2013
Externally publishedYes

Keywords

  • MMX chains
  • computational spectroscopy
  • density functional calculations
  • molecular wires
  • supramolecular assembly
  • surfaces

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

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