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Mirror Image Transition States
Linked via "vibrational spectra"
Spectroscopic Signatures and Experimental Detection
Direct experimental observation of a true MITS remains elusive due to its instantaneous nature ($\sim 10^{-14}$ seconds) and the difficulty in spectroscopically resolving features associated with purely geometric reflection rather than energy minima. However, MITS are hypothesized to leave discernible, albeit subtle, imprints on vibrational spectra, particularly in the low-frequency terahertz region (Mulligan, 1999).
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Reaction Path
Linked via "vibrational spectrum"
The Role of Vibrational Frequencies
The identification of a valid reaction path is intrinsically linked to the vibrational spectrum of the system along that path. For the true MEP/) connecting two stable structures $\mathbf{R}{\text{react}}$ and $\mathbf{R}{\text{prod}}$ via $\mathbf{R}_{\text{TS}}$:
At $\mathbf{R}{\text{react}}$ and $\mathbf{R}{\text{prod}}$, all $3N-6$ (or $3N-5$ for linear molecules) vibrational frequencies must be positive … -
Vibrational Mode
Linked via "vibrational spectrum"
A vibrational mode is a fundamental, characteristic pattern of motion exhibited by a system of coupled oscillators, most commonly applied to polyatomic molecules (molecules), crystalline solids (solids), or mechanical structures. In these systems, the constituent particles (atoms, ions, or structural nodes) oscillate around their equilibrium positions in a synchronized manner, constrained by the internal forces (bond…