Abstract
The structure of the silver(I) triflate complex with N,N′,N″,N‴-tetrakis-(3′,5′-difluorobenzyl)-1,4,8,11-tetraazacyclotetradecane is reported. The Ag+–π interaction between the Ag+ ion incorporated in the cyclam moiety and the aromatic side-arm was observed in solid and solution by X-ray crystallography and UV–VIS titration experiments, respectively. It is also revealed that the Ag+ complex is stable in gas phase from the FAB-MS. The energy of the Ag+–π interaction was estimated as about 30 kJ/mol by Hartree–Fock/3-21G(*) and DFT (B3LYP/3-21G(*)) calculations. The NBO analysis indicated that s donation is the main contribution to the Ag+–aromatic ring interaction.
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Habata, Y., Yamada, S. Molecular Structure of the Silver(I) Triflate Complex with N,N′,N″,N‴-tetrakis(3′,5′-difluorobenzyl)-1,4,8,11-tetraazacyclotetradecane. Journal of Inclusion Phenomena 49, 17–20 (2004). https://doi.org/10.1023/B:JIPH.0000031107.22591.50
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DOI: https://doi.org/10.1023/B:JIPH.0000031107.22591.50