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Leavitt CM, Wolk AB, Fournier JA, et al. Isomer-Specific IR-IR Double Resonance Spectroscopy of D2-Tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap. J Phys Chem Lett. 2012;3(9):1099-105doi: 10.1021/jz3003074.
Leavitt, C. M., Wolk, A. B., Fournier, J. A., Kamrath, M. Z., Garand, E., Van Stipdonk, M. J., & Johnson, M. A. (2012). Isomer-Specific IR-IR Double Resonance Spectroscopy of D2-Tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap. The journal of physical chemistry letters, 3(9), 1099-105. https://doi.org/10.1021/jz3003074
Leavitt, Christopher M, et al. "Isomer-Specific IR-IR Double Resonance Spectroscopy of D2-Tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap." The journal of physical chemistry letters vol. 3,9 (2012): 1099-105. doi: https://doi.org/10.1021/jz3003074
Leavitt CM, Wolk AB, Fournier JA, Kamrath MZ, Garand E, Van Stipdonk MJ, Johnson MA. Isomer-Specific IR-IR Double Resonance Spectroscopy of D2-Tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap. J Phys Chem Lett. 2012 May 03;3(9):1099-105. doi: 10.1021/jz3003074. Epub 2012 Apr 12. PMID: 26288043.
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J Phys Chem Lett. 2012 May 03;3(9):1099-105. doi: 10.1021/jz3003074. Epub 2012 Apr 12.

Isomer-Specific IR-IR Double Resonance Spectroscopy of D2-Tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap.

The journal of physical chemistry letters

Christopher M Leavitt, Arron B Wolk, Joseph A Fournier, Michael Z Kamrath, Etienne Garand, Michael J Van Stipdonk, Mark A Johnson

Affiliations

  1. †Sterling Chemistry Laboratory, Yale University, P.O. Box 208107, New Haven, Connecticut 06520, United States.
  2. ‡Department of Chemistry, Lawrence University, 711 East Boldt Way, Appleton, Wisconsin 54911, United States.

PMID: 26288043 DOI: 10.1021/jz3003074

Abstract

Isomer-specific vibrational predissociation spectra are reported for the gas-phase GlySarH(+) and SarSarH(+) [Gly = glycine; Sar = sarcosine] ions prepared by electrospray ionization and tagged with weakly bound D2 adducts using a cryogenic ion trap. The contributions of individual isomers to the overlapping vibrational band patterns are completely isolated using a pump-probe photochemical hole-burning scheme involving two tunable infrared lasers and two stages of mass selection (hence IR(2)MS(2)). These patterns are then assigned by comparison with harmonic (MP2/6-311+G(d,p)) spectra for various possible conformers. Both systems occur in two conformations based on cis and trans configurations with respect to the amide bond. In addition to the usual single intramolecular hydrogen bond motif between the protonated amine and the nearby amide oxygen atom, cis-SarSarH(+) adopts a previous unreported conformation in which both amino NH's act as H-bond donors. The correlated red shifts in the NH donor and C═O acceptor components of the NH···O═C linkage to the acid group are unambiguously assigned in the double H-bonded conformer.

Keywords: cryogenic ion trap; double resonance; isomers; peptides; vibrational spectroscopy

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