t-Bu-ν-DABNA

CAS Number 2914070-28-1

Dopant Materials, High Purity Sublimed Materials, Materials, Semiconducting Molecules, TADF Materials

Achieve High Efficiency OLEDs with a Blue Dopant Material

High purity sublimed narrowband multi-resonance TADF emitter with boron-based triarylamines

t-Bu-ν-DABNA (CAS number 2914070-28-1) is the derivative of v-DABNA. This material has two boron and six nitrogen atoms which knit 13 phenyl rings together to form a network of triphenylborons and triphenylamines. Two tert-butyl groups sit on the 4-positions of the phenyl rings as part of the two central triphenylamines. The introduction of these groups can effectively increase the intermolecular distance to reduce the unnecessary Dexter energy transfer (DET) and increase the PLQY by reducing the aggregation-caused self-quenching.

Demonstrating atomically separated frontier molecular orbital (FMO) distributions, the HOMO energy is located mainly on nitrogen atoms and LUMO located primarily on boron atoms.

An extremely narrow emission with full width at half maximum (FWHM) of 14 nm was observed for the photoluminescence of t-Bu-ν-DABNA in toluene. The emission peaked at 467 nm in toluene solution. With 5% doping in dibenzo[b,d]furan-2,8-diylbis(diphenylphosphine oxide), host exhibited enhanced PLQY value of 91.9%.

A pure blue hyperfluorescent device, with mMDBA-DI as a TADF sensitized host and t-Bu-ν-DABNA as a fluorescence emitter, exhibited a high external quantum efficiency (EQE) of 40.7%, along with narrow emission with full width at half maximum (FWHM) of 19 nm (CIE y=0.15).

General Information

CAS Number	2914070-28-1
Chemical Formula	C₈₆H₇₀B₂N₆
Molecular Weight	1209.14 g/mol
Absorption*	λ_max 457 nm (in toluene)
Fluorescence	λ_em 467 nm (in toluene)
HOMO/LUMO	HOMO = 5.54 eV, LUMO = 2.94 eV (ΔE_ST = 0.04 eV)
Synonyms	N7,N7,N13,N13,5,15-hexaphenyl-9,11-bis(4-(tert-butyl)phenyl)-5,9,11,15-tetrahydro-5,9,11,15-tetraaza-19b,20b-diboradinaphtho [3,2,1-de:1',2',3'-jk]pentacene-7,13-diamine
Classification or Family	Triarylamine derivatives, Tryphenylboron, Blue dopant, Multiresonance thermally activated delayed fluorescent (MR-TADF), Sublimed materials.

Product Details

Purity	Sublimed* >99% (HPLC)
Melting Point	TGA: T_d = 520 °C, DSC: T_g = 273 °C
Appearance	Yellow powder/crystals

* Sublimation is a technique used to obtain ultra pure-grade chemicals, see sublimed materials for OLED devices.

Chemical Structure

t-Bu-ν-DABNA - N7,N7,N13,N13,5,15-hexaphenyl-9,11-bis(4-(tert-butyl)phenyl)-5,9,11,15-tetrahydro-5,9,11,15-tetraaza-19b,20b-diboradinaphtho [3,2,1-de:1',2',3'-jk]pentacene-7,13-diamine chemical structure — N7,N7,N13,N13,5,15-hexaphenyl-9,11-bis(4-(tert-butyl)phenyl)-5,9,11,15-tetrahydro-5,9,11,15-tetraaza-19b,20b-diboradinaphtho [3,2,1-de:1',2',3'-jk]pentacene-7,13-diamine (t-Bu-ν-DABNA) chemical structure, 2914070-28-1

Device Structure(s)

Device Structure	ITO (50 nm)/HATCN (7 nm)/TAPC (50 nm)/DCDPA (10 nm)/DBFPO:30% pMDBA-DI*:1 wt% t-Bu-v-DABNA (25 nm)/DBFPO (5 nm)/TPBi (20 nm)/LiF (1.5 nm)/Al (100 nm) [1]
Colour	Blue emission (0.13, 0.19) at 474 nm with an FWHM of 19 nm
Max Current Efficiency	39.4 cd/A
Max EQE	37.6%

Device Structure	ITO (50 nm)/HATCN (7 nm)/TAPC (50 nm)/DCDPA (10 nm)/DBFPO:30% mMDBA-DI*:1 wt% t-Bu-v-DABNA (25 nm)/DBFPO (5 nm)/TPBi (20 nm)/LiF (1.5 nm)/Al (100 nm) [1]
Colour	Blue emission (0.12, 0.15) at 474 nm with an FWHM of 19 nm
Max Current Efficiency	31.6 cd/A
Max EQE	40.7%

*For chemical structure information, please refer to the cited references.

MSDS Documentation

t-Bu-ν-DABNA MSDS Sheet

Literature and Reviews

Achieving High Efficiency and Pure Blue Color in Hyperfluorescence Organic Light Emitting Diodes using Organo-Boron Based Emitters, K. Naveen et al., Adv. Funct. Mater., 32 (12), 2110356 (2022); DOI: 10.1002/adfm.202110356.
Forthcoming hyperfluorescence display technology: relevant factors to achieve high-performance stable organic light emitting diodes, Y. Gawale et al., Front. Chem., 11, 1211345 (2023); DOI: 10.3389/fchem.2023.1211345.
Multiresonant TADF materials: triggering the reverse intersystem crossing to alleviate the efficiency roll-off in OLEDs, K. Naveen et al., Chem. Commun., 59, 3685-3702 (2023); DOI: 10.1039/d2cc06802h.