Proton-Coupled Electron Transfer in the Reaction of 3,4-Dihydroxyphenylpyruvic Acid with Reactive Species in Various Media

<div>Equilibrium geometry of the supermolecule formed after the reaction of 3,4-DHPPA with <svg height="15.2434pt" id="M73" style="vertical-align:-3.9935pt" version="1.1" viewbox="-0.0498162 -11.2499 24.7155 15.2434" width="24.7155pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.0095,0,0,-0.0095,0,-5.984)"><path d="M333 262C333 337 270 397 193 397S54 337 54 262S116 127 193 127S333 187 333 262Z" id="g54-74"></path><glyph.data ascent="3443" descent="-2856" horiz-adv-x="385" vert-adv-y="385"></glyph.data></g><g transform="matrix(.0135,0,0,-0.0135,4.163,0)"><path d="M381 665C170 665 44 498 44 318C44 125 188 -15 369 -15C552 -15 703 117 703 333C703 534 550 665 381 665ZM359 629C491 629 601 517 601 306C601 114 502 21 390 21C249 21 146 158 146 346S248 629 359 629Z" id="g190-80"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="747" vert-adv-y="747"></glyph.data></g><g transform="matrix(.0135,0,0,-0.0135,14.161,0)"><path d="M729 650H468V622C546 615 554 610 554 527V365H213V527C213 610 221 616 297 622V650H38V622C120 616 128 611 128 527V123C128 39 120 34 40 28V0H303V28C221 34 213 40 213 123V322H554V123C554 39 546 34 460 28V0H728V28C647 34 639 39 639 123V527C639 610 647 615 729 622V650Z" id="g190-73"></path><glyph.data ascent="989" descent="-360" horiz-adv-x="766" vert-adv-y="766"></glyph.data></g></svg>, at B3lyp/6-31+G(d).</div>

International Journal of Chemical Physics

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Figure 3

Figure 3: Proton-Coupled Electron Transfer in the Reaction of 3,4-Dihydroxyphenylpyruvic Acid with Reactive Species in Various Media 