Vibration-rotation emission spectra and combined isotopomer analyses for the coinage metal hydrides: CuH & CuD, AgH & AgD, and AuH & AuD

Citation
Jy. Seto et al., Vibration-rotation emission spectra and combined isotopomer analyses for the coinage metal hydrides: CuH & CuD, AgH & AgD, and AuH & AuD, J CHEM PHYS, 110(24), 1999, pp. 11756-11767
Citations number
55
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
24
Year of publication
1999
Pages
11756 - 11767
Database
ISI
SICI code
0021-9606(19990622)110:24<11756:VESACI>2.0.ZU;2-J
Abstract
High resolution infrared emission spectra have been measured for AuH and Au D and for two isotopomers of each of CuH, CuD, AgH, and AgD. The molecules were made in a carbon tube furnace (King furnace), and in spite of intense background thermal emission from the furnace (at > 2000 degrees C), vibrati on-rotation emission data could be recorded. Together with high resolution measurements taken from the literature, the data for each species were trea ted using two types of combined-isotopomer analysis: One based on fits to e mpirical molecular parameters, and the other based on direct fits to the un derlying potential energy functions, both of which take account of mass-dep endent Born-Oppenheimer breakdown correction terms. Accurate isotopically r elated Dunham parameters and Born-Oppenheimer breakdown parameters are obta ined for each species, as well as accurate analytic potential functions and adiabatic and nonadiabatic radial correction functions. (C) 1999 American Institute of Physics. [S0021-9606(99)02224-2].