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Here, we develop an extended Frenkel\u2013Holstein Hamiltonian that explicitly includes CT and intermolecular TT diabatic states. We show that site-exchange parity controls optical activity. In the Condon limit, only the even (+) sector is bright, and TT borrows oscillator strength only through the parity-matched chain |FE+\u27e9 \u2192|CT+\u27e9 \u2192 |TT+\u27e9 off the Frenkel exciton (FE) as determined by the relative phase of the electron\/hole transfer coupling t+ and relative phase of the CT\u2013TT coupling g+. CT\u2013TT mixing also raises the energy of the active CT state, increasing the effective FE\u2013CT detuning and suppressing CT-mediated superexchange. When applied to the \u03b1- and \u03b2-phase N,N\u2032-bis(2-phenylethyl)-3,4,9,10-perylenedicarboximide (EP\u2013PDI) crystals, the model reproduces polymorph-dependent vibronic ratios and CT features and provides packing-level design rules for tuning TT visibility and triplet yield via the relative phases of electron\/hole transfer and CT\u2013TT exchange couplings.<\/jats:p>","DOI":"10.1021\/acs.jpclett.6c01908","type":"journal-article","created":{"date-parts":[[2026,9,20]],"date-time":"2026-09-20T15:01:55Z","timestamp":1789916515000},"page":"11154-11161","source":"Crossref","is-referenced-by-count":0,"title":["The Role of\nCharge Transfer and Parity Symmetry of\nthe Wave Function in\n                    <i>N<\/i>\n                    ,\n                    <i>N<\/i>\n                    \u2032-Bis(2-phenylethyl)-3,4,9,10-perylenedicarboximide\nCrystals: A Frenkel-Holstein Approach"],"prefix":"10.1021","volume":"17","author":[{"given":"Xin","family":"Chang","sequence":"first","affiliation":[{"name":"The University of Texas at Austin , , , ,","place":["Austin, Texas, United States, 78712"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4126-6262","authenticated-orcid":true,"given":"Wennie","family":"Wang","sequence":"additional","affiliation":[{"name":"The University of Texas at Austin , , , ,","place":["Austin, Texas, United States, 78712"]},{"name":"The University of Texas at Austin , , , ,","place":["Austin, Texas, United States, 78712"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,20]]},"reference":[{"issue":"43","key":"2026100109081599200_cit1","doi-asserted-by":"publisher","first-page":"29575","DOI":"10.1021\/jacs.4c09923","article-title":"Slowed Singlet Exciton\nFission Enhances Triplet Exciton Transport in Select Perylenediimide\nCrystals","volume":"146","author":"Volek","year":"2024","journal-title":"J. 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