Issue 39, 2015

Guanine tetrads: an IRMPD spectroscopy, energy resolved SORI-CID, and computational study of M(9-ethylguanine)4+ (M = Li, Na, K, Rb, Cs) in the gas phase

Abstract

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.

Graphical abstract: Guanine tetrads: an IRMPD spectroscopy, energy resolved SORI-CID, and computational study of M(9-ethylguanine)4+ (M = Li, Na, K, Rb, Cs) in the gas phase

Supplementary files

Article information

Article type
Paper
Submitted
29 Jan 2015
Accepted
27 Mar 2015
First published
27 Mar 2015

Phys. Chem. Chem. Phys., 2015,17, 25778-25785

Author version available

Guanine tetrads: an IRMPD spectroscopy, energy resolved SORI-CID, and computational study of M(9-ethylguanine)4+ (M = Li, Na, K, Rb, Cs) in the gas phase

M. Azargun and T. D. Fridgen, Phys. Chem. Chem. Phys., 2015, 17, 25778 DOI: 10.1039/C5CP00580A

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