Laser-Excited Fluorescence Spectra of Yttrium Monoiodide

Wannous, G.; Effantin, C.; Bernard, A.; Shenyavskaya, E.A.; Topouzkhanian, A.

doi:10.1006/jmsp.1999.7930

Cited by 11 publications

(3 citation statements)

References 8 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The calculated dissociation energy 4.41 eV is also in excellent agreement with theoretical value 4.42 eV 6. For neutral YI (Table 4), the calculated bond distance 2.803 Å and vibrational frequency 207 cm −1 are consistent with experimental values 2.764 Å25, 49, 50, 52 and 216 cm −1 25, 49, 52. The calculated dissociation energy 3.68 eV is larger than experimental value 3.19 eV50 by 0.49 eV.…”

Section: Resultssupporting

confidence: 83%

“…For cationic CdBr + , ab initio self‐consistent‐field molecular orbital method was available 42. Finally, for 4d transition metal iodides, neutral YI was studied experimentally by numerous methods,25, 26, 49–52 such as laser spectra,25 laser‐induced fluorescence spectra,26 the pure rotational spectrum,50 laser‐excited fluorescence spectra,49 etc. On the theoretical side, CASSCF/MRCI method53 was available for neutral YI.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Electronic structures and chemical bonding in 4d transition metal monohalides

Cheng

Wang

et al. 2007

J Comput Chem

View full text Add to dashboard Cite

Bond distances, vibrational frequencies, dipole moments, dissociation energies, electron affinities, and ionization potentials of MX (XM = Y-Cd, X = F, Cl, Br, I) molecules in neutral, positively, and negatively charged ions were studied by density functional method, B3LYP. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that besides ionic component, covalent bonds are formed between the 4d transition metal s, d orbitals, and the p orbital of halogen. For both neutral and charged molecules, the fluorides have the shortest bond distance, iodides the longest. Although the opposite situation is observed for vibrational frequency, that is, fluorides have the largest value, iodides the smallest. For neutral and anionic species, the dissociation energy tends to decrease with the increasing atomic number from Y to Cd, suggesting the decreasing or weakening of the bond strength. For cationic species, the trend is observed from Y to Ag.

show abstract

Section: Resultssupporting

confidence: 83%

Section: Introductionmentioning

confidence: 99%

Electronic structures and chemical bonding in 4d transition metal monohalides

Cheng

Wang

et al. 2007

J Comput Chem

View full text Add to dashboard Cite

show abstract

“…We consider the chemiluminescent emission characterizing 16 reactions of the group 3 metals Sc, Y, and La and their dimers with F 2 , ClF, and Cl 2 as well as SF 6 ; Sc with Br 2 and ICl; Y with Br 2 and IBr; and Sc 2 and Y 2 with Cl and Br atoms. The available spectroscopic data from experiments ,,,,− ,− and calculations ,,− ,− ,− ,− are given in Tables – .…”

Section: Resultsmentioning

confidence: 99%

Observation of Selectively Populated Monohalide Excited States from the Reactions of Group 3 Metal (Sc, Y, and La) Monomers and Dimers with Halogen-Containing Molecules

et al. 2022

View full text Add to dashboard Cite

The chemiluminescent reactions of the group 3 metals Sc and Y with F 2 , Cl 2 , Br 2 , ClF, ICl (Sc), IBr (Y), and SF 6 and La with F 2 , SF 6 , Cl 2 , and ClF have been studied at low pressures (6 × 10 −6 to 4 × 10 −4 Torr) using a beam-gas arrangement and extended to the 10 −3 Torr multiple collision pressure range. Contrary to previous reports, the observed chemiluminescent spectra are primarily attributed to emission from the metal monohalides. Extensive pressure and temperature dependence studies and high-level correlated molecular orbital theory calculations of the bond dissociation energies support this conclusion and the attribution of the chemiluminescence. Evidence for the "selective" production of a monohalide excited electronic state is obtained for several of the Sc and Y reactions. All reactions producing the metal monofluorides are first order with respect to the oxidant, while reactions producing the monochlorides and monobromides are found to be "faster than first order" with respect to the oxidant. This difference is associated with the metal halide bond dissociation energies and the metal halide product internal density of states. Analysis of the temperature dependence for six representative reactions indicates that the "selective" excited-state formation of the metal monohalides proceeds via a direct mechanism with negligible activation energy. We compare and contrast the present results with previous experiments and interpretations which have assigned the selective emission from these systems to the group 3 dihalides produced in a two-step reaction sequence analogous to an electron jump process. The current results suggest a distinctly different interpretation of the observed processes in these systems. The observed selectivity observed in these studies is remarkable given the significant number of known and potential excited states in the scandium and yttrium halides as well as their different electronic configurations.

show abstract

“Small” Molecule

Бацанов

Batsanov

2012

Introduction to Structural Chemistry

View full text Add to dashboard Cite

Laser-Excited Fluorescence Spectra of Yttrium Monoiodide

Cited by 11 publications

References 8 publications

Electronic structures and chemical bonding in 4d transition metal monohalides

Electronic structures and chemical bonding in 4d transition metal monohalides

Observation of Selectively Populated Monohalide Excited States from the Reactions of Group 3 Metal (Sc, Y, and La) Monomers and Dimers with Halogen-Containing Molecules

“Small” Molecule

Contact Info

Product

Resources

About