The low-lying electronic states of the nickel monohalides, i.e., NiF, NiCl, NiBr, and NiI, are investigated by using multireference second-order perturbation theory with relativistic effects taken into account. For the energetically lowest 11 lambda-S states and 26 omega states there into, the potential energy curves and corresponding spectroscopic constants (vertical and adiabatic excitation e...

A hexadentate Schiff base tripodal ligand is synthesized by the condensation of tris (2-aminoethyl) amine with 2-hydroxy-1-naphthaldehyde and characterized by various spectroscopic techniques like UV-VIS, IR, NMR, MASS, and elemental analysis. The solution studies by potentiometric and spectrophotometric methods are done at 25 ± 1°C, µ = 0.1 M KCl, to calculate the protonation constants of the ...

We discuss newly measured rotational transitions of CO+ (X2Σ+) in its vibrational ground state v = 0, particular the fine-structure components N 0−1 and 1−2 transitions. employed a action spectroscopic technique cryogenic ion trap for measurements. The recorded low-temperature high-resolution spectra show resolved Zeeman splittings caused by Earth's magnetic field. highly accurate experimental ...

The torsional constant (F) is a parameter extracted from spectroscopic analyses of molecules possessing methyl group. Its value depends primarily on the structure. Widely varying F values have been reported for substituted toluenes in their ground electronic state, first excited singlet state or cation. Conventionally, this variability assumed to indicate significant changes structure with subs...

Context. The reaction between carbon atoms and vinyl cyanide, CH 2 CHCN, is a formation route to interstellar 3-cyano propargyl radical, C 3 N, species that has recently been discovered in space. 1-cyano radical (HC HCN), an isomer of predicted be produced the same at least twice more efficiently than N. Hence, HC HCN plausible candidate observed space as well. Aims. We aim generate gas phase o...

• Rotational transitions from 8 to 38 and 130 360 GHz used study anti- gauche- 4-cyano-1-butyne (an isomer of pyridine). Spectroscopic constants for the ground vibrational states determined first time. Hyperfine resolved included determine quadrupole coupling ( χ aa , bb cc ). Experimental energy difference between conformers (Δ E anti – gauche The analysis rotational spectrum 4-cyano-1-butyne,...

Rotational spectra of OC-AuX (X = F, Cl, Br) have been measured in the frequency range 5-21 GHz, using a pulsed jet cavity Fourier transform microwave spectrometer. The molecules were prepared by ablating Au metal with a Nd:YAG laser and allowing the vapor to react with CO plus a halide precursor contained in the Ar backing gas of the jets. For OC-AuCl and OC-AuBr these are the first high-resol...

The detection of larger complex organic molecules, such as molecules consisting several functional groups or those which show conformational flexibility, in the interstellar medium could lead to insights into availability biomolecules space. We present rotational spectroscopic study three amino alcohols: alaninol, valinol, and leucinol. spectra were recorded over 2–110 GHz region, included util...

The high resolution rotational spectroscopic observation of 1,1-diiodoethane is investigated using a pulsed jet, cavity Fourier transform microwave (FTMW) spectrometer over the frequency range 11.5–18 GHz for first time. constants, centrifugal distortion nuclear spin-rotation coupling and complete tensor components quadrupole both iodine nuclei have been determined reported. fitted constants ar...

Rovibrational energy transfer of hydrogen fluoride in collisions with argon was investigated by using the coupled-states approximation to the quantum scattering problem. Empirically determined 3-D ab initio potential energy surfaces ~PES! for the interaction between hydrogen fluoride and argon are presented. Second-order Møller-Plesset perturbation theory ~MP2! was used to provide an initial ap...