H. Haouari et al., RESONANCE RAMAN-SPECTRUM AND EXCITATION PROFILE OF MASS-SELECTED ZIRCONIUM TRIMERS, The Journal of chemical physics, 103(22), 1995, pp. 9527-9529
We present the resonance Raman and Raman excitation profile of mass-se
lected zirconium trimers in argon matrices. In the Raman spectra, two
fundamentals and one overtone are observed. Average Raman shifts, alon
g with standard deviations (in parentheses) are 176.7 (13) cm(-1) (nu(
2)), 258.0 (12) cm(-1) (nu(1)), and 516.1 (8) cm(-1) (2 nu(1)). The ra
tio of the frequencies of the two lowest lines (nu(1) nu(2)) is 1.46,
which is very close to root 2. This is indicative of a symmetrical equ
ilateral geometry (D-3h). In such a case we expect two normal frequenc
ies, one for a totally symmetric stretch of symmetry a'(1)(nu(1)) and
a doubly degenerate bend of symmetry e'(nu(2)). The Raman excitation p
rofiles of the nu(1)(a'(1)) line shows two broad maxima: one near 491
nm and the other near 614 nm. The nu(2)(e') profile shows a broad regi
on of intensity only near 614 nm. With the aid of theory we assign the
614 nm band to be (1)A'(1)-(1)E' (x,y polarized) while the 491 nmband
must be (1)A'(1)-(1)A''(2) (Z polarized). (C) 1995 American Institute
of Physics.