期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 39, 页码 25778-25785出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp00580a
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资金
- Natural Sciences and Engineering Research Council of Canada
- Canadian Foundation for Innovation
- Industrial Research and Innovation Fund
- Bruker
The intrinsic properties of the alkali metal cationized G-tetrads, M(9eG)(4)(+) (M = Li, Na, K, Rb, Cs) composed of 9-ethylguanine (9eG), were studied by a combination of mass spectrometric techniques. The gas phase structures were probed by infrared multiple photon dissociation (IRMPD) spectroscopy in both the fingerprint region (900-1850 cm(-1)) and the N-H/C-H stretching region (2700-3800 cm(-1)). The gas phase structures were found to be similar for all five complexes and most consistent with the metal-centred G-tetrad structure. Energy-resolved CID was also used to compare the gas phase stabilities of the G-tetrads and showed that Na(9eG)(4)(+) was more stable than Li(9eG)(4)(+) followed by the K+, Rb+, and Cs+ G-tetrads in order. The experimental energy ordering was reproduced by electronic structure calculations of the energies. Furthermore, the computations also showed that the lower stability to loss of 9-ethylguanine for the Li+ complex could be due to a strong destabilization of the neutral G-tetrad due to the persistence toward maximizing the ion-dipole interactions while also maintaining hydrogen bonding interactions.
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