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The Isolation of Single MMX Chains from Solution: Unravelling the Assembly–Disassembly Process
Author(s) -
Azani MohammadReza,
Paz Alejandro Pérez,
Hermosa Cristina,
Givaja Gonzalo,
GómezHerrero Julio,
MasBallesté Rubén,
Zamora Felix,
Rubio Angel
Publication year - 2013
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201301450
Subject(s) - mmx , tetramer , chemistry , time dependent density functional theory , dissociation (chemistry) , density functional theory , materials science , computational chemistry , computer science , organic chemistry , enzyme , operating system
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.