SCOPUS 정보 검색 플랫폼

Volumn 114, Issue 24, 2001, Pages 10757-10767

Ground state electronic structures and spectra of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study

(2) Nguyen, K A a Pachter, R a

a AIR FORCE RESEARCH LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS; ZINC COMPOUNDS;

COMPUTED SPECTRUMS; PHTHALOCYANINES;

PORPHYRINS;

EID: 0035933494 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1370064 Document Type: Article

Times cited : (227)

References (79)

1
- 0004240242
- CRC, Boca Raton, FL
- (1983) The Phthalocyanines
- Moser, F.H.¹ Thomas, A.L.²

2
- 11944260641
- (1995) Chem. Soc. Rev. , vol.24 , pp. 19
- Bonnett, R.¹

3
- 0001137098
- edited by C. C. Leznoff and A. B. P. Lever (VCH, New York, NY)
- (1989) Phthalocyanines , pp. 393
- Rosenthal, I.¹ Ben-Hur, E.²

4
- 0000291501
- (1996) Pure Appl. Chem. , vol.68 , pp. 1429
- Seto, J.¹ Tamura, S.² Asai, N.³ Kishii, N.⁴ Kijima, Y.⁵ Matsuzawa, N.⁶

5
- 0027191786
- (1993) Proc. SPIE , vol.1853 , pp. 132
- Mansour, K.¹ Alvarez D., Jr.² Perry, K.J.³ Choong, I.⁴ Marder, S.R.⁵ Perry, J.W.⁶

6
- 0542422675
- (1998) Chem. Mater. , vol.10 , pp. 1212
- Su, W.¹ Cooper, T.M.² Brant, M.C.³

7
- 0032373209
- (1998) Chem. Phys. , vol.231 , pp. 87
- Qureshi, F.M.¹ Martin, S.J.² Long, X.³ Bradley, D.D.C.⁴ Henari, F.Z.⁵ Blau, W.J.⁶ Smith, E.C.⁷ Wang, C.H.⁸ Kar, A.K.⁹ Anderson, H.L.¹⁰

8
- 0032183664
- (1998) Opt. Commun. , vol.155 , pp. 135
- Stiel, H.¹ Volkmer, A.² Ruckmann, I.³ Zeug, A.⁴ Ehrenberg, B.⁵ Roder, B.⁶

9
- 0001110575
- (1998) J. Mater. Chem. , vol.8 , pp. 1671
- De la Torre, G.¹ Vazquez, P.² Agullo-Lopez, F.³ Torres, T.⁴

10
- 33947291151
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 2622
- Fischer, M.S.¹ Tempelton, D.H.² Zalkin, A.³ Calvin, M.⁴

11
- 0001106970
- (1971) Bull. Chem. Soc. Jpn. , vol.44 , pp. 2095
- Kobayashi, T.¹ Ashida, T.² Uyeda, N.³ Surro, E.⁴ Kakuda, M.⁵

12
- 1342344245
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 1101
- Scheidt, W.R.¹ Dow, W.²

13
- 0000053059
- (1993) J. Chem. Phys. , vol.99 , pp. 6416
- Milhill, A.¹ Buell, W.² Fink, M.³

14
- 0000678228
- (1999) J. Chem. Phys. , vol.111 , pp. 3035
- Ruan, C.¹ Mastryukov, V.² Fink, M.³

15
- 0033115801
- (1999) J. Mol. Spectrosc. , vol.194 , pp. 163
- Plows, F.L.¹ Jones, A.C.²

16
- 37049175239
- (1940) J. Chem. Soc. , vol.1940 , pp. 1070
- Linstead, R.P.¹ Rowe, G.A.²

17
- 37049159762
- (1940) J. Chem. Soc. , vol.1940 , pp. 1076
- Barrett, P.A.¹ Linstead, R.P.² Leavitt, J.J.³ Rowe, G.A.⁴

18
- 37049169746
- (1940) J. Chem. Soc. , vol.1940 , pp. 1079
- Barrett, P.A.¹ Linstead, R.P.² Rundall, F.G.³ Tuey, G.A.P.⁴

19
- 0004711198
- (1967) Sov. Phys. Dokl. , vol.11 , pp. 587
- Sevchenko, A.N.¹ Solov'ev, K.N.² Gradyushko, A.T.³ Shkirman, S.F.⁴

20
- 0001165315
- (1971) Opt. Spectrosc. , vol.31 , pp. 291
- Gradyushko, A.T.¹ Tsvirko, M.P.²

21
- 0001633253
- (1971) J. Mol. Spectrosc. , vol.39 , pp. 421
- Bajema, L.¹ Gouterman, M.²

22
- 0004722647
- (1973) Sov. Phys. Dokl. , vol.18 , pp. 320
- Zalesskii, I.E.¹ Kotlo, V.N.² Sevchenko, A.N.³ Solov'ev, K.N.⁴ Shkirman, S.F.⁵

23
- 84971043129
- (1976) Aust. J. Chem. , vol.29 , pp. 933
- Fielding, P.E.¹ Mau, A.W.H.²

24
- 0001384223
- (1982) J. Phys. Chem. , vol.86 , pp. 2273
- Even, U.¹ Jortner, J.² Friedman, J.³

25
- 0001326379
- (1993) J. Phys. Chem. , vol.97 , pp. 7417
- Vancott, T.C.¹ Koralewski, M.² Metcalf, D.H.³ Schatz, P.N.⁴ Williamson, B.E.⁵

26
- 0040769949
- (1970) J. Mol. Spectrosc. , vol.33 , pp. 292
- Edwards, L.¹ Gouterman, M.²

27
- 0017314860
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7638
- Edwards, L.¹ Gouterman, M.² Rose, C.B.³

28
- 0000129934
- edited by C. C. Leznoff and A. B. P. Lever (VCH, New York, NY)
- (1989) Phthalocyanines , pp. 133
- Stillman, M.J.¹ Nyokong, T.²

29
- 0001372128
- (1987) Inorg. Chem. , vol.26 , pp. 548
- Nyokong, T.¹ Gasyna, Z.² Stillman, M.J.³

30
- 0001354245
- (1987) Inorg. Chem. , vol.26 , pp. 1087
- Nyokong, T.¹ Gasyna, Z.² Stillman, M.J.³

31
- 0000338043
- (1989) J. Phys. Chem. , vol.93 , pp. 2999
- VanCott, T.C.¹ Rose, J.L.² Misener, G.C.³ Williamson, B.E.⁴ Schrimpf, A.E.⁵ Boyle, M.E.⁶ Schatz, P.N.⁷

32
- 33751155980
- (1995) J. Phys. Chem. , vol.99 , pp. 7935
- Mack, J.¹ Stillman, M.J.²

33
- 0001052787
- (1972) Theor. Chim. Acta , vol.24 , pp. 346
- McHugh, A.J.¹ Gouterman, M.² Weiss C.W., Jr.³

34
- 0001638348
- (1972) Theor. Chim. Acta , vol.27 , pp. 303
- Henriksson, A.¹ Roos, B.² Sundbom, M.³

35
- 0000335816
- (1965) J. Mol. Spectrosc. , vol.16 , pp. 415
- Weiss, C.¹ Kobayashi, H.² Gouterman, M.³

36
- 0002450434
- (1973) Theor. Chim. Acta , vol.30 , pp. 9
- Schaffer, A.M.¹ Gouterman, M.² Davidson, E.R.³

37
- 0342662172
- (1981) J. Phys. Chem. , vol.85 , pp. 3322
- Huang, T.H.¹ Rieckhoff, K.E.² Voigt, E.M.³

38
- 0000519672
- (1982) J. Chem. Phys. , vol.77 , pp. 3424
- Huang, T.H.¹ Rieckhoff, K.E.² Voigt, E.M.³

39
- 0001067332
- (1960) J. Chem. Phys. , vol.33 , pp. 1523
- Gouterman, M.¹

40
- 50549206325
- (1963) J. Mol. Spectrosc. , vol.11 , pp. 108
- Gouterman, M.¹ Wagniere, G.H.²

41
- 0002312013
- edited by D. Dolphin (Academic, New York)
- (1978) The Porphyrins , vol.3 , pp. 1
- Gouterman, M.¹

42
- 0001369246
- (1995) J. Phys. Chem. , vol.99 , pp. 1928
- Morley, J.O.¹ Charlton, M.H.²

43
- 0029957640
- (1996) Eur. J. Med. Chem. , vol.31 , pp. 939
- Ochsner, M.¹

44
- 0000702094
- (1988) Can. J. Chem. , vol.66 , pp. 2313
- El Khatib, N.¹ Boudjema, B.² Maitrot, M.³ Chermette, M.⁴ Porte, L.⁵

45
- 0000953749
- (1995) Chem. Phys. Lett. , vol.247 , pp. 379
- Kozlowski, P.M.¹ Zgierski, M.Z.² Pulay, P.³

46
- 33748593381
- (1996) J. Phys. Chem. , vol.100 , pp. 7007
- Kozlowski, P.M.¹ Jarzecki, A.A.² Pulay, P.³

47
- 0031285822
- (1997) Theor. Chem. Acc. , vol.97 , pp. 59
- Baker, J.¹ Kozlowski, P.M.² Jarzecki, A.A.³ Pulay, P.⁴

48
- 0032621438
- (1999) J. Chem. Phys. , vol.110 , pp. 9135
- Nguyen, K.A.¹ Day, P.N.² Pachter, R.³

49
- 0030570285
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454
- Bauernschmitt, R.¹ Ahlrichs, R.²

50
- 0000287603
- (1998) J. Chem. Phys. , vol.108 , pp. 4439
- Casida, M.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

51
- 0032533083
- (1998) J. Chem. Phys. , vol.109 , pp. 8218
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

52
- 0001549811
- (1999) J. Phys. Chem. , vol.103 , pp. 7378
- Nguyen, K.A.¹ Day, P.N.² Pachter, R.³

53
- 0042113153
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

54
- 36849115659
- (1971) J. Chem. Phys. , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

55
- 0347170005
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

56
- 0005744966
- (1984) J. Chem. Phys. , vol.81 , pp. 6026
- Stevens, W.J.¹ Basch, H.² Krauss, M.³

57
- 0001510524
- (1992) Can. J. Chem. , vol.70 , pp. 612
- Stevens, W.J.¹ Basch, H.² Krauss, M.³ Jasien, P.⁴

58
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

59
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

60
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

61
- 0004133516
- Gaussian, Inc, Pittsburgh, PA
- (1998) Gaussian 98, Revision A.7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

62
- 26844534384
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

63
- 84986468715
- (1983) J. Comput. Chem. , vol.4 , pp. 294
- Clark, T.C.¹ Spitznagel, G.W.² Schleyer, P.V.R.³

64
- 0005867244
- (1970) J. Chem. Phys. , vol.52 , pp. 1033
- Watchers, A.J.H.¹

65
- 10144223417
- (1977) J. Chem. Phys. , vol.66 , pp. 4377
- Hay, P.J.¹

66
- 0042813364
- (1961) J. Mol. Spectrosc. , vol.6 , pp. 138
- Gouterman, M.¹

67
- 0001646747
- (1987) J. Chem. Phys. , vol.86 , pp. 5045
- Sekino, H.¹ Kobayashi, H.²

68
- 0000775680
- (1985) Can. J. Chem. , vol.63 , pp. 1763
- Edwards, W.D.¹ Zerner, M.C.²

69
- 28044442516
- (1999) J. Phys. Chem. A , vol.103 , pp. 1894
- Hashimoto, T.¹ Choe, Y.-K.² Nakano, H.³ Hirao, K.⁴

70
- 28344448527
- (1976) J. Phys. Chem. , vol.80 , pp. 2253
- Canters, G.W.¹ Jansen, G.² Noort, M.³ Van der Waals, J.H.⁴

71
- 33845553084
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 4305
- Keegan, J.D.¹ Stolzenberg, A.M.² Lu, Y.-C.³ Linder, R.E.⁴ Barth, G.⁵ Moscowitz, A.⁶ Bunnenberg, E.⁷ Djerassi, C.⁸

72
- 0019607474
- (1981) J. Lumin. , vol.23 , pp. 373
- Dvornikov, S.S.¹ Knyukshto, V.N.² Kuzmitskii, V.A.³ Shulga, A.M.⁴ Solovyov, K.N.⁵

73
- 0030595224
- (1996) Chem. Phys. Lett. , vol.260 , pp. 178
- Ishikawa, N.¹ Maurice, D.² Head-Gordon, M.³

74
- 0004667157
- unpublished
- Nguyen, K.A.¹ Pachter, R.²

75
- 0000590021
- (1999) J. Chem. Phys. , vol.110 , pp. 7202
- Rubio, M.¹ Roos, B.O.² Serrano-Andres, L.³ Merchan, M.⁴

76
- 0040769949
- (1970) J. Mol. Spectrosc. , vol.33 , pp. 292
- Edwards, L.¹ Gouterman, M.²

77
- 0030836199
- (1997) J. Phys. Chem. A , vol.101 , pp. 446
- Toyota, K.¹ Hasegawa, J.-Y.² Nakatsuji, H.³

78
- 0000326813
- (1986) Inorg. Chem. , vol.25 , pp. 795
- Scheidt, W.R.¹ Mondal, J.U.² Eigenbrot, C.W.³ Adler, A.⁴ Radonovich, L.J.⁵ Hoard, J.L.⁶

79
- 0001472686
- (1980) J. Phys. Chem. , vol.84 , pp. 1822
- Pileni, M.P.¹ Gratzel, M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.