Abstract
The predissociation spectrum of the Cl-35(H2) complex is measured between 450 and 800 cm-1 in a multipole radiofrequency ion trap at different temperatures using the FELIX infrared free electron laser. Above a certain temperature, the removal of the Cl-(p-H2) para nuclear spin isomer by ligand exchange to the Cl-(o-H2) ortho isomer is suppressed effectively, thereby making it possible to detect the spectrum of this more weakly bound complex. At trap temperatures of 30.5 and 41.5K, we detect two vibrational bands of Cl-(p-H2) at 510(1) and 606(1) cm-1. Using accurate quantum calculations, these bands are assigned to transitions to the inter-monomer vibrational modes (v1,v2 l2 ) = (0, 20) and (1, 20), respectively.
Highlights
Complex in the range of 600–1100 cm−1 at 8 and 22 K.8 On the basis of anharmonic vibrational self-consistent field and vibrational configuration interaction calculations, the most plausible explanation for the detected bands was a combination of the fundamental Cl−(H2) bending with the fundamental Cl−(H2) stretching vibrations and strongly red-shifted overtones thereof
One of the nuclear spin isomers, the Cl−(o-H2) complex, matched the experimentally detected vibrational bands, concluded that the Cl−(p-H2) complex was not seen in the experimental spectra
In their respective ground states, the two complexes of the para form Cl−(p-H2) and the ortho form Cl−(o-H2) are linear and scitation.org/journal/jcp nearly degenerate with an energy difference of just 8.9 cm−1.9 This energy difference represents the splitting that is caused by tunneling through the barrier that hinders the H2 unit from rotating
Summary
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