The Isolation of Single MMX Chains from Solution: Unravelling the Assembly–Disassembly Process |
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Authors: | Mohammad‐Reza Azani Dr. Alejandro Pérez Paz Cristina Hermosa Dr. Gonzalo Givaja Prof. Dr. Julio Gómez‐Herrero Dr. Rubén Mas‐Ballesté Dr. Felix Zamora Prof. Angel Rubio |
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Affiliation: | 1. Departamento de Química Inorgánica, Universidad Autónoma de Madrid, 28049 Madrid (Spain);2. Nano‐Bio Spectroscopy group and ETSF Scientific Development Centre, Departamento de Física de Materiales, Universidad del País Vasco, Centro de Física de Materiales CSIC‐UPV/EHU‐MPC and DIPC, Av. Tolosa 72, 20018 Donostia–San Sebastián (Spain);3. Departamento de Física de la Materia Condensada, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid (Spain);4. Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, 28049 Madrid (Spain) |
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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. |
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Keywords: | computational spectroscopy density functional calculations MMX chains molecular wires supramolecular assembly surfaces |
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