Acknowledgment We thank Dani Setiawan for providing us the data for the bending force
constants and Daniel Sethio for his valuable comments and suggestions. This work was financially
supported by the National Science Foundation, Grants CHE 1464906. We thank SMU for providing
computational resources.
Appendix The appendix contains a compilation of local mode force constants k
a
(ML) in mdyn/Å
(blue color) and corresponding local mode frequencies ω
a in cm
À1 (red color) for a series of metal/
transition metal complexes, which are part of the MLEP library currently under construction. For Cr
and some Ti complexes also, the k
a
(M
. . .
π) and corresponding local mode frequencies ω
a
(M
. . .
π) are
given, which can be calculated by using curvilinear coordinates (Figs. 15 , 16 , and 17).
Fig. 15 Extract from the MLEP library, part 1
260
E. Kraka and M. Freindorf
constants and Daniel Sethio for his valuable comments and suggestions. This work was financially
supported by the National Science Foundation, Grants CHE 1464906. We thank SMU for providing
computational resources.
Appendix The appendix contains a compilation of local mode force constants k
a
(ML) in mdyn/Å
(blue color) and corresponding local mode frequencies ω
a in cm
À1 (red color) for a series of metal/
transition metal complexes, which are part of the MLEP library currently under construction. For Cr
and some Ti complexes also, the k
a
(M
. . .
π) and corresponding local mode frequencies ω
a
(M
. . .
π) are
given, which can be calculated by using curvilinear coordinates (Figs. 15 , 16 , and 17).
Fig. 15 Extract from the MLEP library, part 1
260
E. Kraka and M. Freindorf