Table 1 Photophysical properties of dBO-PAHs

From: Double boron–oxygen-fused polycyclic aromatic hydrocarbons: skeletal editing and applications as organic optoelectronic materials

BO-PAH

absorption at RTa

emission at RTa

kr [108 s−1]

knr [108 s−1]

emission at 77 Kb

 

λabs [nm] {ε × 10−4 [cm−1 M−1]}

λPL [nm]

FWHM [nm]

ΦPL [%]

τf [ns]c

λP [nm]

τf [ns]c

τp [s]d

ET1 [eV]

BO1a

264 (2.63), 324 (0.45), 338 (0.44)

348 (sh),362

41

26

2.4

1.1

3.1

405

3.6

3.1

3.06

BO1b

266 (2.21), 330 (0.43), 344 (0.45)

355,368 (sh)

38

28

2.9

1.0

2.5

413

4.3

3.3

3.00

BO1c

254 (4.00), 325 (0.44), 338 (0.43)

347 (sh),360

37

27

3.4

0.8

2.1

410

7.2

3.9

3.02

BO1d

281 (3.42), 337 (0.48), 350 (0.40)

369,384 (sh)

42

39

5.8

0.7

1.1

471

4.6

4.0

2.63

BO1e

284 (3.26), 335 (0.45), 348 (0.41)

356 (sh),369

43

23

3.3

0.7

2.3

413

4.5

2.9

3.00

BO1f

290 (4.96), 348 (0.35)

377

49

26

3.3

0.8

2.2

467

3.0

3.2

2.66

BO1g

268 (2.94), 329 (0.38), 341 (0.33)

371

50

24

3.1

0.8

2.5

412

3.8

3.2

3.01

BO2

266 (5.71), 316 (0.16)

361

52

26

2.1

1.2

3.5

430

4.8

3.5

2.88

BO3a

262 (5.57), 332 (2.32), 347 (2.90)

354,369

37

74

1.8

4.1

1.4

430

2.3

3.8

2.88

BO3b

267 (4.41), 336 (1.87), 351 (2.31)

361 (sh),375

37

62

1.9

3.3

2.0

435

2.5

3.7

2.85

BO3c

267 (9.09), 338 (1.86), 353 (2.25)

363,379 (sh)

29

51

1.2

4.3

4.1

485

1.7

3.7

2.56

BO3d

284 (12.98), 354 (3.23), 370 (4.87)

394

40

61

2.2

2.8

1.8

498

3.0

1.1

2.49

BO3e

315 (5.48), 352 (4.07), 369 (5.11)

394

28

78

2.5

3.1

0.9

482

2.2

3.8

2.57

BO4a

307 (2.26), 338 (2.62), 354 (2.95)

361 (sh),376

25

62

1.5

4.1

3.2

478

2.0

3.9

2.59

BO4b

309 (2.46), 341 (3.38), 357 (4.15)

364 (sh),378

45

50

2.0

2.5

2.5

446

3.7

3.0

2.78

BO4c

360 (1.32), 377 (2.89), 397 (3.55)

412 (sh),429

41

72

2.2

3.3

1.3

580

2.2

0.3

2.14

BO4d

339 (1.57), 357 (4.12), 376 (5.21)

386,403

57

84

8.4

1.0

0.2

561

12.6

1.1

2.21

BO4e

347 (3.18), 365 (6.26), 385 (7.57)

395 (sh),414

31

95

1.4

6.8

0.4

532

1.2

1.1

2.33

BO5

264 (4.42), 303 (4.63), 355 (1.51)

388 (sh),408

51

46

4.4

1.1

1.2

475

3.6

3.6

2.61

BO6

274 (4.52), 307 (2.98), 350 (1.12)

354 (sh),369

36

27

–

–

–

441

2.4

5.0

2.81

  1. λabs absorption wavelength, ε molar extinction coefficient, ΦPL photoluminescence efficiency, τf fluorescence lifetime, kr radiation rate, knr non-radiation rate, λP phosphorescence lifetime, ET1 the energy level of the lowest triplet excited state.
  2. aMeasured in dichloromethane.
  3. bMeasured in 2-MeTHF.
  4. cExcited state lifetime of fluorescence.
  5. dExcited state lifetime of phosphorescence. kr = ΦPL/τ; knr =  (1-ΦPL)/τ; ET1 = 1240/λP.
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