Prediction of Mechanism and Thermochemical Properties of O<sub><b>3</b></sub> + H<sub><b>2</b></sub>S Atmospheric Reaction

Hardness (<i>η</i>), chemical potential (<i>μ</i>), HOMO energy (<svg height="15.4375" id="M32" style="vertical-align:-3.41936pt" version="1.1" viewbox="0 0 48.549999 15.4375" width="48.549999" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.112)"><path d="M609 650l-19 -162l-30 -2q2 69 -14 94q-9 18 -28.5 26t-74.5 8h-88q-30 0 -37 -6.5t-12 -36.5l-41 -212h103q48 0 69 5.5t32 19t26 50.5h29l-40 -198h-30q2 58 -11.5 70.5t-85.5 12.5h-99l-30 -167q-17 -87 3 -101q18 -15 111 -15q59 0 89 7t54 27q8 7 15.5 16t16 21.5
l14 20.5t15 23.5t13.5 21.5l29 -10q-52 -129 -71 -163h-500l6 28q66 4 83 17.5t28 73.5l77 409q11 61 -0.5 75.5t-78.5 18.5l10 28h467z" id="x1D438"></path></g>
<g transform="matrix(.012,-0,0,-.012,10.8,15.187)"><path d="M729 650v-28q-62 -5 -76 -19.5t-14 -75.5v-404q0 -62 13.5 -76t75.5 -19v-28h-268v28q65 5 79.5 19t14.5 76v199h-341v-199q0 -62 14 -76t76 -19v-28h-263v28q61 5 74.5 19t13.5 76v404q0 62 -14 76t-76 19v28h259v-28q-58 -5 -71 -19t-13 -76v-162h341v162
q0 61 -13.5 75.5t-72.5 19.5v28h261z" id="x48"></path></g><g transform="matrix(.012,-0,0,-.012,19.784,15.187)"><path d="M381 665q131 0 226.5 -93t95.5 -239q0 -158 -96 -253t-238 -95q-137 0 -231 95t-94 238q0 142 92.5 244.5t244.5 102.5zM359 629q-89 0 -151 -74.5t-62 -208.5q0 -141 69 -233t175 -92q90 0 150.5 74t60.5 211q0 152 -69 237.5t-173 85.5z" id="x4F"></path></g><g transform="matrix(.012,-0,0,-.012,28.493,15.187)"><path d="M861 0h-263v28q61 5 73 22t12 97l-4 408h-4l-244 -548h-20l-224 534h-2l-15 -285q-5 -98 -3 -166q1 -34 19.5 -45t72.5 -17v-28h-233v28q45 5 62.5 17t22.5 43q11 65 19 183l14 208q3 36 3.5 55t-2.5 37.5t-6.5 25t-16.5 13t-25.5 8t-39.5 4.5v28h164l228 -501l232 501
h170v-28q-68 -6 -81 -21.5t-11 -91.5l9 -362q2 -80 15 -97t78 -22v-28z" id="x4D"></path></g><g transform="matrix(.012,-0,0,-.012,38.988,15.187)"><path d="M381 665q131 0 226.5 -93t95.5 -239q0 -158 -96 -253t-238 -95q-137 0 -231 95t-94 238q0 142 92.5 244.5t244.5 102.5zM359 629q-89 0 -151 -74.5t-62 -208.5q0 -141 69 -233t175 -92q90 0 150.5 74t60.5 211q0 152 -69 237.5t-173 85.5z" id="x4F"></path></g>
</svg>), and LUMO energy (<svg height="15.4375" id="M33" style="vertical-align:-3.41936pt" version="1.1" viewbox="0 0 45.375 15.4375" width="45.375" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.112)"><path d="M609 650l-19 -162l-30 -2q2 69 -14 94q-9 18 -28.5 26t-74.5 8h-88q-30 0 -37 -6.5t-12 -36.5l-41 -212h103q48 0 69 5.5t32 19t26 50.5h29l-40 -198h-30q2 58 -11.5 70.5t-85.5 12.5h-99l-30 -167q-17 -87 3 -101q18 -15 111 -15q59 0 89 7t54 27q8 7 15.5 16t16 21.5
l14 20.5t15 23.5t13.5 21.5l29 -10q-52 -129 -71 -163h-500l6 28q66 4 83 17.5t28 73.5l77 409q11 61 -0.5 75.5t-78.5 18.5l10 28h467z" id="x1D438"></path></g>
<g transform="matrix(.012,-0,0,-.012,10.8,15.187)"><path d="M495 163l30 -6q-19 -99 -36 -157h-453v28q63 5 77.5 20t14.5 78v400q0 63 -13 77t-75 19v28h261v-28q-61 -5 -74.5 -19t-13.5 -77v-395q0 -41 5 -59t18 -25q24 -13 96 -13q85 0 112 31q30 33 51 98z" id="x4C"></path></g><g transform="matrix(.012,-0,0,-.012,16.737,15.187)"><path d="M716 650v-28q-46 -3 -65 -15.5t-22 -43.5q-6 -54 -6 -162v-82q0 -184 -75 -264q-68 -69 -180 -69q-98 0 -160 48q-88 67 -88 238v249q0 66 -13.5 81t-73.5 20v28h258v-28q-59 -4 -72.5 -19t-13.5 -82v-227q0 -122 48 -188t140 -66q189 0 189 286v75q0 111 -7 165
q-4 29 -24 40.5t-73 15.5v28h238z" id="x55"></path></g><g transform="matrix(.012,-0,0,-.012,25.316,15.187)"><path d="M861 0h-263v28q61 5 73 22t12 97l-4 408h-4l-244 -548h-20l-224 534h-2l-15 -285q-5 -98 -3 -166q1 -34 19.5 -45t72.5 -17v-28h-233v28q45 5 62.5 17t22.5 43q11 65 19 183l14 208q3 36 3.5 55t-2.5 37.5t-6.5 25t-16.5 13t-25.5 8t-39.5 4.5v28h164l228 -501l232 501
h170v-28q-68 -6 -81 -21.5t-11 -91.5l9 -362q2 -80 15 -97t78 -22v-28z" id="x4D"></path></g><g transform="matrix(.012,-0,0,-.012,35.811,15.187)"><path d="M381 665q131 0 226.5 -93t95.5 -239q0 -158 -96 -253t-238 -95q-137 0 -231 95t-94 238q0 142 92.5 244.5t244.5 102.5zM359 629q-89 0 -151 -74.5t-62 -208.5q0 -141 69 -233t175 -92q90 0 150.5 74t60.5 211q0 152 -69 237.5t-173 85.5z" id="x4F"></path></g>
</svg>) (in atomic unit) of HSOH and HSO molecules.

Journal of Chemistry

tab4

Table 4

Table 4: Prediction of Mechanism and Thermochemical Properties of O<sub><b>3</b></sub> + H<sub><b>2</b></sub>S Atmospheric Reaction 

Journal of Chemistry

Prediction of Mechanism and Thermochemical Properties of O3 + H2S Atmospheric Reaction

Table 4

Prediction of Mechanism and Thermochemical Properties of O₃ + H₂S Atmospheric Reaction