Perturbation-facilitated detection of the first quintet-quintet band in C2

The Journal of Chemical Physics
P BornhauserP P Radi

Abstract

The first high-spin transition in C2 (1 (5)Πu - 1 (5)Πg) is observed by perturbation-facilitated optical-optical double resonance spectroscopy. The experiment is performed by applying unfolded two-color resonant four-wave mixing. C2 radicals in the initial a (3)Πu, v = 5 state are produced by using a discharge source in a molecular beam environment. The final quintet state is excited via intermediate "gateway" states exhibiting both substantial triplet and quintet character due to a perturbation between the 1 (5)Πg, v = 0 and the d (3)Πg, v = 6 states. Fifty seven rotational transitions in the P, Q, and R branches of all spin sub-states are measured and yield accurate molecular constants of the newly found upper level 1 (5)Πu. In addition, satellite transitions (ΔJ ≠ ΔN) are observed and allow an accurate determination of the spin-orbit constant. The results are compared with high-level ab initio computations at the multi-reference configuration interaction level of theory. The high-lying quintet state is found to be predissociative and displays a shallow potential that accommodates three vibrational levels only.

References

Dec 28, 2006·The Journal of Chemical Physics·Damian L KokkinTimothy W Schmidt
Mar 9, 2007·The Journal of Chemical Physics·Damian L KokkinTimothy W Schmidt
Aug 7, 2009·The Journal of Chemical Physics·Masakazu NakajimaScott H Kable
Feb 2, 2011·The Journal of Chemical Physics·P BornhauserP P Radi
Jun 21, 2011·The Journal of Chemical Physics·Timothy W Schmidt, George B Bacskay
Jun 16, 2012·The Journal of Chemical Physics·Nils BartelsAlec M Wodtke
Oct 29, 2013·The Journal of Chemical Physics·Y SychP P Radi
Jan 7, 2014·The Journal of Chemical Physics·Masakazu Nakajima, Yasuki Endo

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Citations

Jul 18, 2015·The Journal of Physical Chemistry. a·Olha KrechkivskaTimothy W Schmidt
Dec 10, 2017·The Journal of Chemical Physics·B VisserP P Radi
Apr 29, 2016·Science Progress·Roderick M Macrae
Jul 25, 2019·Nature Communications·M BeckP P Radi
Jan 14, 2021·Accounts of Chemical Research·Timothy W Schmidt

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