Research Article
First Observation of Defined Structural Motifs in the Sulfur-Iodine Thermochemical Cycle and Their Role in Hydrogen Production
Table 4
Calculated vibrational modes of 4wI together with their individual descriptions. Mode description: Hb and Hf refer to hydrogen atoms within the water molecules that are hydrogen bonded or free, respectively; superscripts n and nc stand for concerted and nonconcerted motion respectively; 3 for antisymmetric stretch; 1 for symmetric stretch; 2 for bending mode; for wag; for rock; for twist; / used to separate concerted motions from nonconcerted motions. Modes descriptions in bold font highlight the normal modes of water. Compression, distortion, and twist modes refer to the tetramer ring, except for those in italics which refer to motions of the whole complex.
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||