Spectroscopic evidence for a gas-phase librating G-quartet-Na(+) complex

The IRMPD spectrum of the G-quartet-Na(+) complex, in combination with an ab initio molecular dynamic simulation, revealed the presence of two metastable populations of conformers separated by a free energy barrier easily accessible at room temperature.

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Bibliographische Detailangaben
Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2014-12, Vol.50 (94), p.14767-14770
Hauptverfasser:	Fraschetti, C, Montagna, M, Guarcini, L, Guidoni, L, Filippi, A
Format:	Artikel
Sprache:	eng
Schlagworte:	G-Quadruplexes Gases - chemistry Molecular Conformation Molecular Dynamics Simulation Sodium - chemistry Spectrophotometry, Infrared Thermodynamics
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	The IRMPD spectrum of the G-quartet-Na(+) complex, in combination with an ab initio molecular dynamic simulation, revealed the presence of two metastable populations of conformers separated by a free energy barrier easily accessible at room temperature.
ISSN:	1359-7345 1364-548X
DOI:	10.1039/c4cc05149a