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We present a spectroscopic investigation of the excited-state dynamics of the phenylalanine (Phe)/serine (Ser) protonated dimer in the gas phase. Using an ultraviolet (UV) laser pulse, we promote individual isomers to the S1 state and probe their fate with ...
The physical chemistry of bio molecules in the gas phase is progressing at a rapid pace. One of the most promising areas is the determination of the conformations of biologically important molecules. Quantitative determination of their relative energies is ...
Wiley-V C H Verlag Gmbh2012
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A laser spectroscopic study on the structure and dynamics of cold host–guest inclusion complexes of crown ethers (CEs) with various neutral and ionic species in the gas phase is presented. The complexes with neutral guest species are formed by using supers ...
We summarize here our experimental studies of the high rovibrational energy levels of water. The use of double-resonance vibrational overtone excitation followed by energy-selective photofragmentation and laser-induced fluorescence detection of OH fragment ...
Triple-resonance vibrational spectroscopy is used to determine the lowest dissociation energy, D0, for the water isotopologue HD16O as 41 239.7 ± 0.2 cm−1 and to improve D0 for H216O to 41 145.92 ± 0.12 cm−1. Ab initio calculations including systematic bas ...
We benchmark the performance of various computational approaches, ranging from the classical nonpolarizable force fields AMBER FF96 and FF99SB, the polarizable force fields AMBER FF02polEP and AMOEBAbio09 to the semiempirical DFT method SCC-DFTB. The test ...
We have applied conformer-selective IR-UV double-resonance photofragment spectroscopy at low temperatures in an ion trap mass spectrometer for the spectroscopic characterization of peptide fragment ions. We investigate b- and a-type ions formed by collisio ...
Electronic and vibrational spectra of benzo-15-crown-5 (B15C5) and benzo-18-crown-6 (B18C6) complexes with alkali metal ions, M+•B15C5 and M+•B18C6 (M = Li, Na, K, Rb and Cs), are measured using UV photodissociation (UVPD) and IR-UV double resonance spectr ...
American Chemical Society2012
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We report UV photodissociation (UVPD) and IR-UV double-resonance spectra of 1,2-dimethoxybenzene (DMB) complexes with alkali metal ions, M+•DMB (M = Li, Na, K, Rb, and Cs), in a cold 22-pole ion trap. The UVPD spectrum of the Li+ complex shows a strong ori ...
2012
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We employ Cold Ion Spectroscopy (CIS) in conjunction with high-Field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS) to study the peptide bradykinin in its doubly protonated charge state ([bk+2H]2+). Using FAIMS we partially separate the electrospray ...
