The CO2 molecule is never linear

  title={The CO2 molecule is never linear},
  author={Per Jensen and Michael A. Spanner and Philip R. Bunker},
  journal={Journal of Molecular Structure},
Abstract We make an ab initio calculation of the bending distribution functions for low lying vibrational states of the CO2 molecule in its ground electronic state. These functions have their maximum values at a non-linear geometry, and the value zero at linearity, despite the fact that the potential surface has its minimum value at linearity. These functions are in accord with experimental distribution functions inferred by analysis of Coulomb Explosion Imaging experiments. Thus in a femto… 
4 Citations
Comment on “Linear and bent triatomic molecules are not qualitatively different!”
  • T. Amano
  • Canadian Journal of Physics
  • 2021
Jensen (Can. J. Phys. 98, 506 (2020). doi: 10.1139/cjp-2019-0395 ) presents theoretical justification for the claim that linear triatomic molecules are necessarily observed to be bent. The basis of
Reply to the comment by Amano on “Linear and bent triatomic molecules are not qualitatively different!”
In Amano’s comment on Jensen’s paper, we notice two important misconceptions: (i) Amano overlooks the fact that all features special for a linear molecule originate in the double degeneracy in the
The well-established relation r0 > re holds always?
Abstract The relation r 0 > r e is a well established wisdom in molecular spectroscopy. However, when we compare r e with the r 0 , eff , derived from the experimentally determined rotational
Excited state quantum phase transitions in the bending spectra of molecules
We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling


Empirical potential energy surface and bending angle probability densities for the electronic ground state of HCO+
Abstract In molecular spectroscopy parlance, a linear molecule is defined as one whose potential energy minimum is at a linear geometry. The nature of the average structure of a linear triatomic
The vibration-rotation problem in triatomic molecules allowing for a large-amplitude bending vibration
Abstract In this paper we derive an expression for the vibration-rotation Hamiltonian of a triatomic molecule. In the derivation we use a curvilinear bending coordinate and two rectilinear stretching
Linear and bent triatomic molecules are not qualitatively different!
  • P. Jensen
  • Physics
    Canadian Journal of Physics
  • 2020
I, and other authors, have discussed in several recent publications that “linear” triatomic molecules (defined as having linear equilibrium structures) are necessarily observed as being bent on
Ro-vibrationally averaged dipole moments of linear triatomic molecules
Abstract We discuss here which of the dipole moment components of a linear triatomic molecule (of type A–B–A or A–B–C) will vanish, and which can be observed with non-zero values. We aim to resolve
Hydrogen atoms under magnification: direct observation of the nodal structure of Stark states.
This Letter reports photoionization microscopy experiments where this nodal structure of the Stark Hamiltonian is directly observed, providing a validation of theoretical predictions that have been made over the last three decades.
The nonrigid bender Hamiltonian for calculating the rotation-vibration energy levels of a triatomic molecule
Abstract This paper is concerned with the nonrigid bender Hamiltonian developed by P.R. Bunker and co-workers. This special Hamiltonian is of use for the calculation of rotation-vibration energies of
A new morse oscillator-rigid bender internal dynamics (MORBID) Hamiltonian for triatomic molecules
Abstract The rotation-vibration Hamiltonian for a triatomic molecule is derived in terms of two bond-length displacements Δ r 12 and Δ r 32 and a bending coordinate ϱ defined as in the approach
Ultrafast imaging of multielectronic dissociative ionization of CO2 in an intense laser field
Momentum vectors of fragment ions produced by the Coulomb explosion of CO2z+ (z = 3–6) in an intense laser field (~50 fs, 1 × 1015 W cm−2) are determined by the triple coincidence imaging technique.
Frequency measurements and molecular constants of the 12C16O2 [1001, 0201]II ← 0000 band near 2.7 μm
Abstract Absolute frequencies of 23 transitions ranging from J = 2 to 70 for both the P and R branches of the 12 C 16 O 2 [10 0 1, 02 0 1] II  ← 00 0 0 band near 2.7 μm are measured to 17 kHz
Complete Coulomb fragmentation of CO2 in collisions with 5.9 MeV u−1 Xe18+ and Xe43+
We studied the ionization and fragmentation of CO2 in collisions with 5.9 MeV u−1 Xe18+ and Xe43+ ions utilizing a position-and time-sensitive multi-particle detector. By coincident measurement of