High-resolution isotope selective laser spectroscopy of Ag2 molecules

Abstract

Silver dimers formed in a seeded supersonic argon beam are examined with two laser spectroscopic methods. Excitation fluorescence spectra of the A-X system excited with a narrow band cw dye laser yield accurate constants of the X 1Σg+ and the A 1Σu+ state. From isotope selective resonant two-photon ionization spectra of the B-X and the E-X system excited by a pulsed dye laser and monitored with a time-of-flight mass spectrometer, improved vibrational constants and rotational constants of the B 1Πu and the E 1Πu state are derived. Rotational constants of the C and the D state could be determined from the spectral separations between bandhead and band origin in partly rotationally resolved bands. Autoionizing Rydberg states of Ag2 are stepwise excited with two pulsed dye lasers in two resonant steps. From the convergence limits of different Rydberg series converging towards different vibrational levels v+ in the X 2Σg+ ground state of Ag2+ the rotational constants of the ion ground state and the adiabatic ionization potential IP(Ag2+)=61 747±4 cm−1 could be accurately determined.

Ultraviolet-visible absorption of small silver clusters in neon: Agn (n = 1–9)

“…The silver dimer has been extensively studied in matrices, 30 as well as in the gas phase. 31,32 In particular absorption in neon was already obtained by Schrittenlacher et between 2 and 10 eV. 33 The measured absorption peaks at 3.00, 4.68, 4.79, and 5.08 eV are in excellent agreement with our results.…”

Validation of Methods for Computational Catalyst Design: Geometries, Structures, and Energies of Neutral and Charged Silver Clusters

“…Internuclear distances of Ag 2 and Ag 2 − have been determined from spectroscopy experiments. 16,17 We use CCSD(T)/aug-ccpVQZ-PP plus core−valence correlation functions (CCSD(T)/ cc-pwCVDZ-PP) method to optimize the lowest-energy isomers of Ag 2 + , Ag 3 , Ag 3 + , Ag 3 − , Ag 4 , as well as other isomers: a D ∞h structure of Ag 3 , a D ∞h structure of Ag 3 + , a D 3h structure of Ag 3 − , and a C 2v structure of Ag 4 . Figure 1 shows the structures of 11 neutral and charged silver clusters used as reference data for geometries.…”

Influence of DFT-functional and basis set of functions on calculation results of the structural and energy properties of Ag2 molecular cluster

“…Известно из эксперимента [21], что равновесная длина связи для димера серебра Ag 2 равна 253 пм, а энергия связи -1,69 эВ (38,97 ккал/моль). Из табл.…”

“…2. Отклонение энергии связи молекулярных кластеров Ag 2 и Cu 2 при использовании базисов различной размерности относительно уровня теории BLYP/QZ4P от экспериментального значения [21]:…”