IR-UV double resonance spectroscopy

K. Le Barbu Debus, N. Seurre, F. Lahmani, and A. Zehnacker Rentien, Formation of hydrogen bonded bridges in jet cooled complexes of a chiral chromophore as studied by IR/UV double resonance spectroscopy. 2 Naphthyl 1 ethanol/(methanol)n j 2 complexes. Phys. Chem. Chem. Phys. 4, 4866 4876 (2002). 

Plutzer C, Nir E, de Vries MS, Kleinermanns K (2001) IR-UV double-resonance spectroscopy of the nucleobase adenine. Physical Chemistry Chemical Physics 3 5466-5469. 

State of the art for spectroscopic analysis in the gas phase is currently IR-UV double resonant spectroscopy [8-12], schematically depicted in Figure 12-1. This... 

Figure 12-1. Schematic diagram to illustrate double resonance techniques, (a) REMPI 2 photon ionization. The REMPI wavelength is scanned, while a specific ion mass is monitored to obtain a mass dependent SI <- SO excitation spectrum, (b) UV-UV double resonance. One UV laser is scanned and serves as a burn laser, while a second REMPI pulse is fired with a delay of about 100 ns and serves as a probe . The probe wavelength is fixed at the resonance of specific isomer. When the burn laser is tuned to a resonance of the same isomer it depletes the ground state which is recorded as a decrease (or ion dip) in the ion signal from the probe laser, (c) IR-UV double resonance spectroscopy, in which the burn laser is an IR laser. The ion-dip spectrum reflects the ground state IR transitions of the specific isomer that is probed by the REMPI laser, (d) Double resonance spectroscopy can also use laser induced fluorescence as the probe, however that arrangement lacks the mass selection afforded by the REMPI probe...

Figure 12-5 summarizes the observed structures of various DNA base pairs in the gas phase, as determined by IR-UV double resonance spectroscopy. Open circles indicate the sites at which the ribose group is attached in the nucleosides. The structures in columns (b) and (c) are the ones observed experimentally. The structures in column (a) were not observed. For G-C pairs the structure in column (a) is the Watson-Crick structure. Abo-Riziq et al. observed this structure when the bases were derivatized in the ribose position (N9 for guanine and N1 for cytosine), however, in that case the UV spectrum was very broad [42], One of the most remarkable features of these data is thus that some of the biologically most important structures so far remain unobserved in the gas phase. The structures of column (a)... 

Figure 12-8. REMPI spectra of various cytosine dimers. Asterisks indicate origins of different structures as determined by UV-UV double resonance spectroscopy. The corresponding structures, as determined by IR-UV double resonance spectroscopy are shown below...

The jet-cooled species can be studied using standard laser techniques (Figure 13-4a) like laser-induced fluorescence (LIF or fluorescence excitation spectroscopy) or R2PI, as well as using their sophisticated double-resonance variants, like UV/UV or IR/UV double resonance spectroscopy (Figure 13-4b and 4c), to investigate molecules or clusters existing under various isomeric forms... 

H. J. Neusser and K. Siglow, High-resolution ultraviolet spectroscopy of neutral and ionic clusters hydrogen bonding and the external heavy atom effect, Chem. Rev. 100,3921-3942 (2000). Y. Matsumoto, T. Ebata, and N. Mikami, Structures and vibrations of 2-naphthol-(NH3) (n = 1-3) hydrogen-bonded clusters investigated by IR-UV double-resonance spectroscopy, J. Mol. Struct. 552, 257-271 (2000). 

P. Bering, Structure and vibrations of the phenol-ammonia cluster, J. Chem. Phys. 102, 9197-9204 (1995). (c) S. Tanabe, T. Ebata, M. Fujii, and N. Mikami, OH stretching vibrations of phenol-(H20) (n = 1-3) complexes observed by IR-UV double-resonance spectroscopy, Chem. Phys. Lett. 215, 347-352 (1993). (d) D. Michalska, W. Zierkiewicz, D. C. Bien ko, W. Wojciechowski, and T. Zeegers-Huyskens, Troublesome vibrations of aromatic molecules in second-order Moller-Plesset and density functional theory calculations infrared spectra of phenol and phenol-OD revisited, J. Phys. Chem. A 105, 8734-8739 (2001). 

Fig. 4.9 IR spectra of aniline in a supersonic beam from Ref. [41], The upper trace was obtained by IR-UV double-resonance spectroscopy with the use of the nanosecond laser system. The inset shows the expanded spectrum in the CH stretch region. The lower trace is the ionization gain IR spectrum obtained with the picosecond laser system (Reprinted with permission from Ref. [41]. Copyright (2005), American Institute of Physics)...

Tanabe S, Ebata T, Fuji M, Mikami N (1993) OH stretching vibrations of phenol-(H20)n(n = 1-3) complexes observed by IR-UV double-resonance spectroscopy. Chem Phys Lett 215(4) 347-352... 

The preceding section on gramicidin S demonstrates how the combination of buffer-gas cooling and IR-UV double-resonance spectroscopy can simplify the spectrum of a decapeptide and allow its precise structural determination in the gas phase as well as elucidate the key structural changes upon stepwise solvation. As one pushes these techniques to larger biomolecules, the increasing number of stable conformations they can adopt increase the degree of spectral complexity,... 

Inokuchi Y, Kobayashi Y, Ito T, Ebata T (2007) Conformation of L-tyrosine studied by fluorescence-detected UV-UV and IR-UV double-resonance spectroscopy. J Phys Chem A 111 3209... 

Fricke H, Schwing K, Gerlach A, Unterberg C, Gerhards M (2010) Investigations of the water clusters of the protected amino acid Ac-Phe-OMe by applying IR/UV double resonance spectroscopy microsolvation of the backbone. Phys Chem Chem Phys 12 3511... 

Fricke H, Gerlach A, Unterberg C, Rzepecki P, Schrader T, Gerhards M (2004) Structure of the tripeptide model Ac-Val-Tyr(Me)-NHMe and its cluster with water investigated by IR/UV double resonance spectroscopy. Phys Chem Chem Phys 6 4636... 

Mr E, Janzen C, Imhof P, Kleinermanns K, de Vries MS (2002) Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR-UV double-resonance spectroscopy and ab initio calculations. PCCP 4 732-739... 

Saigusa H, Urashima S, Asami H (2009) IR-UV double resonance spectroscopy of the hydrated clusters of guanosine and 9-methylguanine evidence for hydration structures involving the sugar group. J Phys Chem A 113 3455-3462... 

Callahan MP, Crews B, Abo-Riziq A, Grace L, de Vries MS, Gengeliczki Z, Holmes TM, Hill GA (2007) IR-UV double resonance spectroscopy of xanthine. PCCP 9 4587-4591... 

---