Matrix-isolated FeO, NiO, and CoO

A Critical Appraisal of the Experimental Data on the Molecular Structure and Spectra of Halides, Oxides, and Hydrides of the s-, d-, and f-Block Elements

“…However, for the 35 Cl 37 Cl isotopomer the symmetry is lowered to C Iv or C s . This means that the n 3 and n 1 modes of M 35 Cl 37 Cl can interact.…”

“…However, for the 35 Cl 37 Cl isotopomer the symmetry is lowered to C Iv or C s . This means that the n 3 and n 1 modes of M 35 Cl 37 Cl can interact. As the mass of the central atom increases, the difference between n 3 and n 1 becomes smaller, and the vibrational coupling becomes stronger.…”

“…If the symmetry of MCl 2 in the all- 35 Cl or all- 37 Cl form is D Ih or C 2v , n 3 and n 1 (the symmetric stretch) have different symmetries and do not interact. However, for the 35 Cl 37 Cl isotopomer the symmetry is lowered to C Iv or C s .…”

“…Note that 45 Sc, 55 Mn, and 59 Co are monoisotopic, while 51 V is 99.75 % abundant. For a matrix-isolation experiment the presence of 35 Cl and 37 Cl enables the number of chlorine ligands to be established; a characteristic 9:6:1 triplet demonstrates the presence of two equivalent chlorine atoms if natural-abundance chlorine is present.…”

“…The effects of anharmonicity can be appreciable, as is demonstrated for the diatomic molecule NiO isolated in argon matrices. [37] Four isotopomers were examined, and the following differences between calculated (without corrections for anharmonicity) and observed isotope shifts determined (the second figure in each case is the total shift): 0. For an XY 2 molecule, the sinq function becomes less sensitive to changes in q as the bond angle nears 1808, and this makes the assignment of linearity or nonlinearity increasingly difficult.…”