Thermally　activated　delayed　fluorescence　(TADF)　emitters　based　on　the　triptycene　skeleton　demonstrate　exceptional　performance,　superior　stability,　and　low　efficiency　roll-off.　Understanding　the　interplay　between　the　luminescent　properties　of　triptycene-TADF　molecules　and　their　assembly　environments,　along　with　their　excited-state　characteristics,　necessitates　a　comprehensive　theoretical　exploration.　Herein,　we　predict　the　photophysical　properties　of　triptycene-TADF　molecules　in　a　thin　film　environment　using　the　quantum　mechanics/molecular　mechanics　method　and　quantify　their　substantial　dependency　on　the　heavy　atom　effects　and　reorganization　energies　using　the　Marcus-Levich　theory.　Our　calculated　photophysical　properties　for　two　recently　reported　molecules　closely　align　with　experimental　values.　We　design　three　novel　triptycene-TADF　molecules　by　incorporating　chalcogen　elements　(O,　S,　and　Se)　to　modify　the　acceptor　units.　These　newly　designed　molecules　exhibit　reduced　reorganization　energies　and　enhanced　reverse　intersystem　crossing　(RISC)　rates.　The　heavy　atom　effect　amplifies　spin-orbit　coupling,　thereby　facilitating　the　RISC　process,　particularly　at　a　remarkably　high　rate　of　similar　to　10(9)　s(-1).　[GRAPHICS]