ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
In an extension of recent work [Y. Kim, K. Patton, J. Fleniken, and H. Meyer, Chem. Phys. Lett. 318, 522 (2000)], overtone pumping followed by resonantly enhanced multiphoton ionization (REMPI) detection is used to record spectra corresponding to excitation of the lowest five bend–stretch vibrational levels of the NO(X 2Π,v=2)–Ar complex. High-quality ab initio potential energy surfaces, coupled-electron-pair (CEPA) and coupled cluster single double triple [CCSD(T)], are used to predict the positions of these same five states, but in the NO(X 2Π,v=0)–Ar complex. The vibrational wave functions and basis set expansion coefficients, determined within the adiabatic bender model, are then used to simulate the observed spectrum for excitation of the NO(X 2Π, v=2)–Ar complex. The overall position and rotational substructure matches the experiment extremely well, particularly when the simulation is based on the presumably more accurate CCSD(T) potential energy surfaces. © 2000 American Institute of Physics.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.481776
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