# Optical absorption spectrum of Perylene-diimide, [PDI] in toluene # # Data from PhotochemCAD 2.1a has been munged on 2 June 2017 by Scott Prahl to make # the information available to non-Windows users. Although I have tried to be as careful # as possible, I may have introduced some error; the cautious user is advised to compare # these results with the original sources at www.photochemcad.com: # # H. Du, R. A. Fuh, J. Li, A. Corkan, J. S. Lindsey, "PhotochemCAD: A computer-aided design # and research tool in photochemistry," Photochem. Photobiol., 68, 141-142, 1998. # J. M. Dixon, M. Taniguchi and J. S. Lindsey "PhotochemCAD 2. A refined program with accompanying # spectral databases for photochemical calculations", Photochem. Photobiol., 81, 212-213, 2005. # # The spectral absorption measurements were made by M. Taniguchi on 10-01-2004 using a HP 8453. #The absorption values were collected using a spectral bandwidth of 1.0 nm. # # These measurements were scaled to make the molar extinction coefficient match # the value of 44000 cm-1/M at 490.0 nm. These values were # then interpolated to report extinction coefficients at regular 1nm intervals # # The reported molar extinction coefficient is from # Prathapan, S., S. I. Yang, J. Seth, M. A. Miller, D. F. Bocian, D. Holten and J. S. Lindsey (2001) Synthesis and excited-state photodynamics of perylene-porphyrin dyads. 1. Parallel energy and charge transfer via a diphenylethyne linker. J. Phys. Chem. B 105, 8237-8248. # ##Wavelength (nm) Molar Extinction (cm-1/M) 300 4440 301 4414 302 4386 303 4371 304 4355 305 4345 306 4343 307 4343 308 4344 309 4349 310 4363 311 4378 312 4391 313 4399 314 4408 315 4413 316 4421 317 4423 318 4419 319 4392 320 4366 321 4336 322 4303 323 4271 324 4233 325 4196 326 4151 327 4106 328 4062 329 4017 330 3975 331 3937 332 3898 333 3861 334 3836 335 3816 336 3791 337 3777 338 3760 339 3730 340 3707 341 3687 342 3658 343 3637 344 3616 345 3590 346 3579 347 3574 348 3577 349 3588 350 3622 351 3647 352 3680 353 3718 354 3746 355 3765 356 3773 357 3776 358 3750 359 3737 360 3704 361 3695 362 3685 363 3698 364 3687 365 3682 366 3700 367 3761 368 3873 369 4000 370 4090 371 4134 372 4125 373 4109 374 4064 375 4010 376 3913 377 3800 378 3678 379 3562 380 3433 381 3325 382 3209 383 3120 384 3026 385 2930 386 2866 387 2792 388 2730 389 2664 390 2609 391 2552 392 2486 393 2401 394 2346 395 2266 396 2198 397 2145 398 2095 399 2070 400 2038 401 2033 402 2050 403 2073 404 2066 405 2068 406 2055 407 2034 408 2032 409 2024 410 1999 411 1976 412 1968 413 1976 414 1990 415 2028 416 2081 417 2170 418 2265 419 2406 420 2544 421 2726 422 2917 423 3115 424 3336 425 3571 426 3792 427 4020 428 4230 429 4417 430 4564 431 4649 432 4710 433 4773 434 4782 435 4784 436 4762 437 4737 438 4755 439 4792 440 4881 441 5047 442 5250 443 5548 444 5931 445 6391 446 6971 447 7598 448 8305 449 9108 450 9938 451 10795 452 11721 453 12608 454 13485 455 14303 456 14959 457 15544 458 15953 459 16185 460 16225 461 16111 462 15832 463 15390 464 14859 465 14295 466 13740 467 13249 468 12787 469 12505 470 12409 471 12535 472 12883 473 13449 474 14225 475 15242 476 16455 477 17881 478 19601 479 21479 480 23636 481 25864 482 28257 483 30735 484 33239 485 36190 486 38577 487 39527 488 41545 489 43085 490 44000 491 44325 492 44067 493 43110 494 41639 495 39685 496 37190 497 34621 498 31835 499 28905 500 26212 501 23824 502 21782 503 20178 504 19049 505 18378 506 18166 507 18361 508 19006 509 19952 510 21256 511 22813 512 24617 513 26711 514 28970 515 31512 516 34401 517 37449 518 40805 519 44606 520 48372 521 52636 522 56753 523 60758 524 64485 525 67473 526 69789 527 71111 528 71317 529 70372 530 68056 531 64596 532 60202 533 55126 534 49617 535 43834 536 38165 537 32556 538 27306 539 22810 540 18793 541 15304 542 12318 543 9899 544 7912 545 6308 546 5016 547 3950 548 3133 549 2527 550 2018 551 1628 552 1307 553 1064 554 878 555 722 556 602 557 519 558 439 559 401 560 351 561 309 562 271 563 261 564 250 565 223 566 221 567 211 568 193 569 186 570 162 571 161 572 157 573 147 574 139 575 129 576 123 577 129 578 101 579 103 580 95 581 105 582 80 583 66 584 86 585 89 586 70 587 76 588 71 589 56 590 69 591 71 592 69 593 69 594 59 595 60 596 59 597 63 598 64 599 50 600 53 601 48 602 54 603 57 604 47 605 53 606 50 607 39 608 39 609 42 610 37 611 42 612 43 613 37 614 42 615 45 616 35 617 42 618 44 619 40 620 34 621 37 622 40 623 44 624 42 625 43 626 49 627 38 628 42 629 36 630 33 631 28 632 40 633 49 634 42 635 48 636 42 637 38 638 32 639 29 640 24 641 41 642 33 643 33 644 51 645 26 646 28 647 31 648 30 649 30 650 28 651 22 652 35 653 29 654 20 655 65 656 44 657 -111 658 -35 659 24 660 9 661 11 662 31 663 28 664 16 665 26 666 24 667 17 668 19 669 26 670 21 671 27 672 23 673 16 674 16 675 20 676 14 677 13 678 15 679 20 680 13 681 5 682 5 683 8 684 10 685 17 686 7 687 9 688 9 689 11 690 6 691 10 692 5 693 10 694 1 695 9 696 1 697 13 698 7 699 5 700 7 701 3 702 6 703 -1 704 7 705 3 706 2 707 8 708 3 709 0 710 0 711 1 712 -2 713 7 714 0 715 -1 716 -2 717 1 718 0 719 1 720 1 721 -9 722 -11 723 -3 724 0 725 0 726 3 727 -4 728 -3 729 -8 730 -7 731 0 732 -8 733 -4 734 -4 735 -9 736 -4 737 -7 738 -14 739 -9 740 -7 741 -10 742 -15 743 -4 744 -12 745 -11 746 -13 747 -11 748 -11 749 -7 750 -11 751 -13 752 -18 753 -15 754 -11 755 -20 756 -19 757 -17 758 -17 759 -25 760 -17 761 -20 762 -25 763 -22 764 -16 765 -18 766 -22 767 -21 768 -18 769 -17 770 -28 771 -15 772 -23 773 -18 774 -21 775 -23 776 -23 777 -20 778 -21 779 -23 780 -20 781 -28 782 -19 783 -27 784 -25 785 -20 786 -23 787 -24 788 -31 789 -24 790 -25 791 -32 792 -22 793 -25 794 -28 795 -28 796 -27 797 -35 798 -27 799 -30 800 -29