title: Reactions of group 3 transition metal atoms with CS2 and OCS: Matrix isolation infrared spectra and density-functional calculations of SMCS, SM-(eta2-CS), SMCO, and SM-(eta2-CO) in solid argon.
abstract: Laser-ablated scandium, yttrium, and lanthanum atoms were reacted with CS2 and OCS molecules in an argon matrix. Products of the type SMCX and S-M(eta2-CX) (X = S or O) were formed on sample deposition. Photolysis favored the S-M(eta(2)-CX) complex, while annealing increased the more stable SMCX isomer. Product absorptions are identified by density-functional frequency calculations and isotopic substitutions. This work reports the first vibrational spectroscopic characterization of Sc, Y, and La reaction products with CS2 and OCS and the subsequent interconversion between SMCX and S-M(eta2-CX) structural isomers.
authors.affiliation: Department of Chemistry, University of Virginia, PO Box 400319, Charlottesville, Virginia 22904-4319, USA.
authors.forename: Alexander B
authors.initials: AB
authors.lastname: Baker
authors.forename: Lester
authors.initials: L
authors.lastname: Andrews
mesh_terms: D001128:Argon / Q000737:chemistry*; D002246:Carbon Disulfide / Q000737:chemistry*; D007811:Lanthanum / Q000737:chemistry; D008956:Models, Chemical; D010777:Photochemistry; D012538:Scandium / Q000737:chemistry; D012680:Sensitivity and Specificity; D013055:Spectrophotometry, Infrared / Q000379:methods; D013237:Stereoisomerism; D013461:Sulfur Oxides / Q000737:chemistry*; D013696:Temperature; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D013461:Sulfur Oxides; D028561:Transition Elements; D001128:Argon; D007811:Lanthanum; C010063:carbonyl sulfide; D002246:Carbon Disulfide; D012538:Scandium