Related Experiment Video
Updated: May 13, 2026

Setting Limits on Supersymmetry Using Simplified Models
Published on: November 15, 2013
Study of the X̃2Π state of the SiCN/SiNC Renner-Teller system
Vincent Brites1, Alexander O Mitrushchenkov, Céline Léonard
1Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France.
Abstract:
The potential energy surfaces of both components of the X̃(2)Π electronic ground state of the double Renner-Teller SiCN/SiNC system are calculated using explicitly correlated coupled cluster approach. The SiNC minimum is found to lie at 628 cm(-1) above the SiCN one. The isomerization transition state is found at 7583 cm(-1) on the (2)A' surface and at 7936 cm(-1) on the (2)A(") surface. The cyclic local minimum on surface (2)A' is also reproduced by our potential energy surface and is located at 3901 cm(-1). The calculated potentials are used to simulate rovibrational spectroscopy employing the recently developed EVEREST variational code. It is shown that Renner-Teller interaction (ε = 0.3043 for SiCN and ε = 0.3874 for SiNC) and spin-orbit coupling are both very important for a correct description of the spectroscopy of this system. Comparison with available experimental measurement is reported.
More Related Videos
07:51Dielectric RheoSANS — Simultaneous Interrogation of Impedance, Rheology and Small Angle Neutron Scattering of Complex Fluids
Published on: April 10, 2017
06:49In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation
Published on: March 2, 2021
Related Concept Videos
Thermal Sigmatropic Reactions: Overview
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Graphical and Analytic Representation of Sinusoids
The first step is measuring the peak-to-peak value, which is twice the amplitude of the sinusoid. This provides information about the maximum voltage swing of the waveform.
Secondly, the period and angular frequency are determined. The period is the time taken for one complete cycle of the waveform, while...
Trigonometric Functions of Real Numbers
State Space Representation
Consider an RLC circuit, a...
Transfer Function to State Space
In an RLC...
Trigonometric Equations