title: Investigation by two-color IR dissociation spectroscopy of Hoogsteen-type binding in a metalated nucleobase pair mimic.
abstract: Two Ag(I) ions, deprotonated 1-methyl-thymine (1MT-H)(-) and 1,3-dideaza-adenine (DDA), self-assemble in methanolic solution to a cationic [(Ag)2(1MT-H)(DDA)](+) complex as identified by electrospray ionization mass spectrometry. Assignment of vibrational bands and identification of the silver coordination pattern arise from comparison of one- and two-color Infrared Multiple Photon Dissociation (IRMPD) spectra (1000-4000 cm(-1)) of isolated and trapped complexes to calculated spectra from density functional theory. This approach reveals two structurally and energetically close isomers that resemble a metalated Hoogsteen-like binding motif. The two color IR/IR double resonance scheme proved in particular useful to observe weakly absorbing or weakly fragmenting vibrational modes.
authors.affiliation: Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52, Kaiserslautern 67663, Germany. nosenko@chemie.uni-kl.de
authors.forename: Yevgeniy
authors.initials: Y
authors.lastname: Nosenko
authors.forename: Fabian
authors.initials: F
authors.lastname: Menges
authors.forename: Christoph
authors.initials: C
authors.lastname: Riehn
authors.forename: Gereon
authors.initials: G
authors.lastname: Niedner-Schatteburg
mesh_terms: D000225:Adenine / Q000031:analogs & derivatives* / Q000737:chemistry; D007536:Isomerism; D008958:Models, Molecular; D012834:Silver / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization; D013055:Spectrophotometry, Infrared / Q000379:methods; D013941:Thymine / Q000031:analogs & derivatives* / Q000737:chemistry
chemical_list: C500095:1,3-dideazaadenine; D012834:Silver; C030630:1-methylthymine; D000225:Adenine; D013941:Thymine