The Renner–Teller effect observed in the and electronic states of H₂S⁺

Abstract

In 1995, Balzer et al. recorded a well-resolved photoelectron spectrum of the outer valence region of H 2 S between 12.7 and 14.5 eV. The vibronic energies were identified with the aid of calculated ionisation potentials. Following on from this, vacuum ultraviolet pulsed-field ionisation spectroscopy was used by Hochlaf et al. in 2004 to record partially resolved rotational spectra of H 2 S + . Finally, in 2010, Han, Kang and Kim recorded rotationally resolved electronic spectra of theà 2 A 1 −X 2 B 1 transitions of H 2 S + above the barrier to linearity, by use of mass-analysed threshold ionisation photo-fragment excitation spectroscopy. By making use of new high-resolution jet-cooled electronic spectra recorded in Basel, and the rotational analyses carried out in 1972 and 1983, the different methods have been linked to provide a detailed picture of the relationship between the four different types of spectroscopy.

Mechanism analysis of reaction S+(2D)+H2(X1Σg+)→SH+(X3Σ−)+H(2S) based on the quantum state-to-state dynamics*

“…[1][2][3] Specially, H 2 S + , as the simplest sulfur containing molecular ion, not only is an indispensable reaction intermediate in the combustion process, but also has a relevant role in the formation of molecules. Because of the possible roles in interstellar-cloud chemistry, [4][5][6] a lot of researches about H 2 S + have been done over the past years.…”

“…Using the mass-analyzed threshold ionization photofragment excitation technique, Han et al [11] studied the rotationally resolved spectroscopy of the Ã2 A 1 ← X2 B 1 transition of H 2 S + , and found that the further photoexcitation can lead to the H 2 S + → H 2 + S + dissociation. In 2014, Duxbury et al [6] connected different methods to give a detailed description of the relation among different types of spectroscopy.…”

Observation of Competitive Nonadiabatic Photodissociation Dynamics of H2S+ Cations

“…Ng and co-workers presented the photoelectron spectrum of H 2 S with the upgraded spectral resolution using the pulsed-field ionization technique combined with the vacuum ultraviolet synchrotron radiation source, providing the quantitatively refined data for the vibronic term values associated with the photoionization processes that produce H 2 S + in different electronic states of X 2 B 1 , A 2 A 1 , or B 2 B 2 . Ashfold and colleagues then reported the velocity map ion imaging results of the photodissociation of H 2 S + that reveal the unique role of nuclear spin on the photodissociation; the Renner-Teller coupling and spin–orbit coupling have also been found to play an important role in the dissociation process. , In 2014, Duxbury et al combined various types of spectroscopies to present a detailed description of the Renner-Teller effect in the A 2 A 1 and X 2 B 1 of H 2 S + . The theoretical investigation of H 2 S + was mainly focused on stationary-point electronic structure calculations for the lowest several electronic states and/or two-dimensional potential energy curves with one degree of freedom fixed at a specific value.…”

“…24,25 In 2014, Duxbury et al combined various types of spectroscopies to present a detailed description of the Renner-Teller effect in the A 2 A 1 and X 2 B 1 of H 2 S + . 26 The theoretical investigation of H 2 S + was mainly focused on stationary-point electronic structure calculations for the lowest several electronic states and/or two-dimensional potential energy curves with one degree of freedom fixed at a specific value. The early study of Hirsch and Bruna 27 the conical intersection between A 2 A 1 and the higher B 2 B 2 state by performing multireference configuration interaction calculations.…”