Related Experiment Video
Updated: Nov 8, 2025

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
Infrared Spectra and Theoretical Calculations of BSe2 and BSe2-: The Pseudo-Jahn-Teller Effect
Ting Ji1, Bixue Zhu1, Jie Zhao1,2
1Key Laboratory of Macrocyclic and Supramolecular Chemistry of Guizhou Province, Guizhou University, Guiyang 550025, China.
Abstract:
Matrix isolation infrared spectroscopy has been employed to study the reaction of laser-ablated boron atoms with hydrogen selenide in a 5 K solid argon matrix. On the basis of the isotopic shifts as well as the theoretical frequency calculations, triatomic molecule BSe2 and its anion BSe2- were identified. Both BSe2 and BSe2- were predicted to have D symmetric structures with nearly identical structure parameters and bond strengths by quantum chemical calculations. Whereas the observed antisymmetric B-Se stretching frequency of BSe2 is much lower than that of BSe2-, the anomalously low antisymmetric B-Se stretching frequency of BSe2 is attributed to a pseudo-Jahn-Teller effect due to the mixing of the X2Πg ground state with the A2Πu excited state. In addition, H2BSe, HBSe, and HSeBSe molecules were produced in the reaction.
Related Concept Videos
UV–Vis Spectroscopy: Molecular Electronic Transitions
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
Molecular Spectroscopy: Absorption and Emission
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
VSEPR Theory and the Effect of Lone Pairs
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...

