Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range.
First-principles computations and experimental measurements of transition energies are carried out for vibrational overtone lines of the triatomic hydrogen ion H(3)(+) corresponding to floppy vibrations high above the barrier to linearity. Action spectroscopy is improved to detect extremely weak visible-light spectral lines on cold trapped H(3)(+) ions. A highly accurate potential surface is obtained from variational calculations using explicitly correlated Gaussian wave function expansions. After nonadiabatic corrections, the floppy H(3)(+) vibrational spectrum is reproduced at the 0.1 cm(-1) level up to 16600 cm(-1).
Department of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721, USA. m.pavanello@chem.leidenuniv.nl
Michele
M
Pavanello
Ludwik
L
Adamowicz
Alexander
A
Alijah
Nikolai F
NF
Zobov
Irina I
II
Mizus
Oleg L
OL
Polyansky
Jonathan
J
Tennyson
Tamás
T
Szidarovszky
Attila G
AG
Császár
Max
M
Berg
Annemieke
A
Petrignani
Andreas
A
Wolf