Polynitrogen compounds: 1. Structure and stability of N4 and N5 systems

MT Nguyen - Coordination chemistry reviews, 2003 - Elsevier
This review, presented in three parts, summarizes the results concerning the molecular and
electronic structure and the thermodynamic stability of polynitrogen compounds Nn, with n …

High-resolution electronic and vibrational spectroscopy of small-to-medium sized molecules with ab initio potential energy surface

S Ray, D Koner, P Mondal - Electronic Structure, 2023 - iopscience.iop.org
Electronic and vibrational spectroscopic studies of molecules are of crucial importance to
characterizing a molecule and detecting the molecular species in different environments. In …

Confirmation of the “long-lived” tetra-nitrogen molecule using neutralization-reionization mass spectrometry and ab initio calculations

EE Rennie, PM Mayer - The Journal of chemical physics, 2004 - pubs.aip.org
Tetra-nitrogen (N 4), which has been the subject of recent controversy [Cacace, d. Petris,
and Troiani, Science 295, 480 (2002); Cacace, Chem. Eur. J. 8, 3839 (2002); Nguyen et al …

[HTML][HTML] Photodissociation dynamics of N3+

S Patra, JC San Vicente Veliz, D Koner… - The Journal of …, 2022 - pubs.aip.org
The photodissociation dynamics of N 3+ excited from its (linear) 3 Σ g−/(bent) 3 A ″ground
to the first excited singlet and triplet states is investigated. Three-dimensional potential …

N3+: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics

D Koner, M Schwilk, S Patra, EJ Bieske… - The Journal of chemical …, 2020 - pubs.aip.org
The fundamental vibrational frequencies and higher vibrationally excited states for the N 3+
ion in its electronic ground state have been determined from quantum bound state …

Dissociative recombination study of N3+: Cross section and branching fraction measurements

V Zhaunerchyk, WD Geppert, E Vigren… - The Journal of …, 2007 - pubs.aip.org
We report an investigation into the dissociative recombination of the azide radical cation, N
3+⁠. The reaction rate constant has been measured to be 6.47× 10− 7 cm 3 s− 1 at room …

Cyclic and bent electronic states of the N3+ ion

R Tarroni, P Tosi - Chemical physics letters, 2004 - Elsevier
Ab initio computations on C2v and Cs structures of the N3+ azide ion have been performed,
in order to characterize its low-lying bent and cyclic electronic states. Available …

Open chain versus cyclic 14-electron triatomics: molecular structures and vibrational frequencies of P2Si, P2C, SiN2 and Si2S

RD Davy, HF Schaefer III - Chemical physics letters, 1996 - Elsevier
Since the studies of Walsh in the 1950s, triatomic molecules have provided a field of
investigation for the fundamentals of bonding. A general consensus has been that rings are …

The reaction from thermal to 25 eV

P Tosi, W Lu, D Bassi, R Tarroni - The Journal of Chemical Physics, 2001 - pubs.aip.org
The endothermic reaction N 2++ N 2→ N 3++ N has been investigated both experimentally
and by ab initio calculations. Integral cross sections are presented as a function of collision …

Ab initio molecular dynamics studies on the lowest triplet and singlet potential surfaces of the azide cation: Anharmonic effects on the vibrational spectra of linear and …

F Jolibois, L Maron, A Ramírez-Solís - Journal of Molecular Structure …, 2009 - Elsevier
We study the finite temperature dynamical process followed by the ground state (linear
triplet) and the first excited state (cyclic singlet) of the azide radical cation, N3+. Born …