Producción CientíficaThe metallic cyanoacetylides CuCCCN, AgCCCN, and AuCCCN have been synthesized in the throat of a pulsed supersonic expansion by reaction of metal vapors, produced by laser ablation, and BrCCCN. Their pure rotational spectra in the (X1Σ+) electronic ground state were observed by Fourier transform microwave spectroscopy in the 2-10 GHz frequency region. Importantly, the rotational spectroscopy constants determined from the analysis of the rotational spectra clearly established the existence of metal-CCCN arrangements for all the mentioned cyanoacetylides. A study of the chemical bonding by means of a topological analysis of the electron density helps to understand the preference for metal-C bonding over metal-N bonding.Ju...
International audienceAccurate near-equilibrium potential energy and dipole moment functions have be...
Author Institution: Department of Chemistry Department of Astronomy, and Steward Observatory, Univer...
The physical properties of gas phase metal monoacetylide (MCCH, where M = Sc–Zn) molecules have been...
Producción CientíficaCombined spectroscopy measurements and theoretical calculations bring to light ...
Producción CientíficaThe metallic cyanoacetylides LiC3N, NaC3N, MgC3N, and CaC3N have been investiga...
International audienceCombined spectroscopy measurements and theor. calcns. bring to light a first i...
Simple organometallic molecules, especially those with a single ligand, are the desired model system...
Microwave spectra of the three Group 13 metal cyanide pairs AlNC/AlCN, GaNC/GaCN, and InNC/InCN have...
Accurate near-equilibrium potential energy and dipole moment functions have been calculated for the ...
Author Institution: Department of Chemistry, Faculty of Science, Shizuoka University,; Oya 836, Shiz...
Pure rotational spectra of simple metal carbon clusters that relevant to transition metal synthesis ...
The new linear molecule Ag-C$equiv$C-Cl has been detected and characterized by means of rotational s...
New molecules formed by the non-covalent interaction of cyclopropane (c-C$_{3}$H$_{6}$) with MCl, wh...
We present a four-component relativistic density functional theory study of the chemical bond and s–...
We present a four-component relativistic density functional theory study of the chemical bond and s-...
International audienceAccurate near-equilibrium potential energy and dipole moment functions have be...
Author Institution: Department of Chemistry Department of Astronomy, and Steward Observatory, Univer...
The physical properties of gas phase metal monoacetylide (MCCH, where M = Sc–Zn) molecules have been...
Producción CientíficaCombined spectroscopy measurements and theoretical calculations bring to light ...
Producción CientíficaThe metallic cyanoacetylides LiC3N, NaC3N, MgC3N, and CaC3N have been investiga...
International audienceCombined spectroscopy measurements and theor. calcns. bring to light a first i...
Simple organometallic molecules, especially those with a single ligand, are the desired model system...
Microwave spectra of the three Group 13 metal cyanide pairs AlNC/AlCN, GaNC/GaCN, and InNC/InCN have...
Accurate near-equilibrium potential energy and dipole moment functions have been calculated for the ...
Author Institution: Department of Chemistry, Faculty of Science, Shizuoka University,; Oya 836, Shiz...
Pure rotational spectra of simple metal carbon clusters that relevant to transition metal synthesis ...
The new linear molecule Ag-C$equiv$C-Cl has been detected and characterized by means of rotational s...
New molecules formed by the non-covalent interaction of cyclopropane (c-C$_{3}$H$_{6}$) with MCl, wh...
We present a four-component relativistic density functional theory study of the chemical bond and s–...
We present a four-component relativistic density functional theory study of the chemical bond and s-...
International audienceAccurate near-equilibrium potential energy and dipole moment functions have be...
Author Institution: Department of Chemistry Department of Astronomy, and Steward Observatory, Univer...
The physical properties of gas phase metal monoacetylide (MCCH, where M = Sc–Zn) molecules have been...