SCOPUS 정보 검색 플랫폼

Physical Chemistry Chemical Physics

Volumn 12, Issue 28, 2010, Pages 7994-8000

TD-DFT simulations of the electronic properties of star-shaped photochromes

(4) Jacquemin, Denis a Perpète, Eric A a Maurel, Franois b Perrier, Aurélie b

a UNIVERSITY OF NAMUR (Belgium)

b UNIVERSITÉ PARIS DIDEROT (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77954566080 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b927323a Document Type: Article

Times cited : (23)

References (53)

1
- 77954576647
- Amsterdam
- N. Y. C. Chu, Elsevier, Amsterdam, 1990, ch. 10, pp. 493-508
- (1990) Elsevier , pp. 493-508
- Chu, N.Y.C.¹

2
- 77954603947
- New York
- R. C. Bertelson, Plenum, New York, 1999, vol. 1, pp. 11-73
- (1999) Plenum , pp. 11-73
- Bertelson, R.C.¹

3
- 84942320882
- Elsevier, New York
- H. Dürr and H. Bouas-Laurent, Photochromism: Molecules and Systems, Elsevier, New York, 2003
- (2003) Photochromism: Molecules and Systems
- Dürr, H.¹ Bouas-Laurent, H.²

4
- 0012317549
- Wiley-VCH, Weinheim
- V. Balzani, A. Credi and M. Venturi, Molecular Devices and Machines - A Journey into Nano World, Wiley-VCH, Weinheim, 2004
- (2004) Molecular Devices and Machines - A Journey into Nano World
- Balzani, V.¹ Credi, A.² Venturi, M.³

5
- 0348080703
- M. Irie Chem. Rev. 2000 100 1685 1716
- (2000) Chem. Rev. , vol.100 , pp. 1685-1716
- Irie, M.¹

6
- 0035240103
- M. M. Krayushkin Chem. Heterocycl. Compd. 2001 37 15 36
- (2001) Chem. Heterocycl. Compd. , vol.37 , pp. 15-36
- Krayushkin, M.M.¹

7
- 1642393147
- H. Tian S. Yang Chem. Soc. Rev. 2004 33 85 97
- (2004) Chem. Soc. Rev. , vol.33 , pp. 85-97
- Tian, H.¹ Yang, S.²

8
- 35349011576
- S. L. Gras T. Mahmud G. Rosengarten A. Mitchell K. Kalantar-zadeh ChemPhysChem 2007 8 2036 2050
- (2007) ChemPhysChem , vol.8 , pp. 2036-2050
- Gras, S.L.¹ Mahmud, T.² Rosengarten, G.³ Mitchell, A.⁴ Kalantar-Zadeh, K.⁵

9
- 34248644006
- G. Guirado C. Coudret J.-P. Launay J. Phys. Chem. C 2007 111 6 2770 2776
- (2007) J. Phys. Chem. C , vol.111 , Issue.6 , pp. 2770-2776
- Guirado, G.¹ Coudret, C.² Launay, J.-P.³

10
- 34147207633
- S. Kobatake D. Takami H. Muto T. Ishikawa M. Irie Nature 2007 446 778 781
- (2007) Nature , vol.446 , pp. 778-781
- Kobatake, S.¹ Takami, D.² Muto, H.³ Ishikawa, T.⁴ Irie, M.⁵

11
- 0342752569
- T. Mrozek H. Görner J. Daub Chem. Commun. 1999 1487 1488
- (1999) Chem. Commun. , pp. 1487-1488
- Mrozek, T.¹ Görner, H.² Daub, J.³

12
- 0035793824
- T. Mrozek H. Görner J. Daub Chem.-Eur. J. 2001 7 1028 1040
- (2001) Chem.-Eur. J. , vol.7 , pp. 1028-1040
- Mrozek, T.¹ Görner, H.² Daub, J.³

13
- 23944493657
- M. Frigoli G. H. Mehl Angew. Chem., Int. Ed. 2005 44 5048 5052
- (2005) Angew. Chem., Int. Ed. , vol.44 , pp. 5048-5052
- Frigoli, M.¹ Mehl, G.H.²

14
- 0034316119
- A. Peters N. R. Branda Adv. Mater. Opt. Electron. 2000 10 245 249
- (2000) Adv. Mater. Opt. Electron. , vol.10 , pp. 245-249
- Peters, A.¹ Branda, N.R.²

15
- 0035840958
- K. Matsuda M. Irie J. Am. Chem. Soc. 2001 123 9896 9897
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 9896-9897
- Matsuda, K.¹ Irie, M.²

16
- 0035926074
- S. H. Kawai T. Sasaki M. Irie Chem. Commun. 2001 711 712
- (2001) Chem. Commun. , pp. 711-712
- Kawai, S.H.¹ Sasaki, T.² Irie, M.³

17
- 0037028942
- T. Kaieda S. Kobatake H. Miyasaka M. Murakami N. Iwai Y. Nagata A. Itaya M. Irie J. Am. Chem. Soc. 2002 124 2015 2024
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 2015-2024
- Kaieda, T.¹ Kobatake, S.² Miyasaka, H.³ Murakami, M.⁴ Iwai, N.⁵ Nagata, Y.⁶ Itaya, A.⁷ Irie, M.⁸

18
- 0141643410
- S. Kobatake M. Irie Tetrahedron 2003 59 8359 8364
- (2003) Tetrahedron , vol.59 , pp. 8359-8364
- Kobatake, S.¹ Irie, M.²

19
- 34047220890
- J. Areephong W. R. Browne B. L. Feringa Org. Biomol. Chem. 2007 5 1170 1174
- (2007) Org. Biomol. Chem. , vol.5 , pp. 1170-1174
- Areephong, J.¹ Browne, W.R.² Feringa, B.L.³

20
- 54949141852
- C. C. Ko W. H. Lam V. W. W. Yam Chem. Commun. 2008 5203 5205
- (2008) Chem. Commun. , pp. 5203-5205
- Ko, C.C.¹ Lam, W.H.² Yam, V.W.W.³

21
- 42449105739
- H. E. Kim J. H. Jang H. Choi T. Lee J. Ko M. Yoon H. J. Kim Inorg. Chem. 2008 47 2411 2415
- (2008) Inorg. Chem. , vol.47 , pp. 2411-2415
- Kim, H.E.¹ Jang, J.H.² Choi, H.³ Lee, T.⁴ Ko, J.⁵ Yoon, M.⁶ Kim, H.J.⁷

22
- 62149106591
- J. Areephong J. H. Hurenkamp M. T. W. Milder A. Meetsma J. L. Herek W. R. Browne B. L. Feringa Org. Lett. 2009 11 721 724
- (2009) Org. Lett. , vol.11 , pp. 721-724
- Areephong, J.¹ Hurenkamp, J.H.² Milder, M.T.W.³ Meetsma, A.⁴ Herek, J.L.⁵ Browne, W.R.⁶ Feringa, B.L.⁷

23
- 67649844462
- M. T. W. Milder J. L. Herek J. Areephong B. L. Feringa W. R. H. Browne J. Phys. Chem. A 2009 113 7717 7724
- (2009) J. Phys. Chem. A , vol.113 , pp. 7717-7724
- Milder, M.T.W.¹ Herek, J.L.² Areephong, J.³ Feringa, B.L.⁴ Browne, W.R.H.⁵

24
- 61449097729
- Y. W. Zhong N. Vila J. C. Henderson H. D. Abruna Inorg. Chem. 2009 48 991 999
- (2009) Inorg. Chem. , vol.48 , pp. 991-999
- Zhong, Y.W.¹ Vila, N.² Henderson, J.C.³ Abruna, H.D.⁴

25
- 28444473054
- I. Jung H. Choi E. Kim C. H. Lee S. O. Kang J. Ko Tetrahedron 2005 61 12256 12263
- (2005) Tetrahedron , vol.61 , pp. 12256-12263
- Jung, I.¹ Choi, H.² Kim, E.³ Lee, C.H.⁴ Kang, S.O.⁵ Ko, J.⁶

26
- 33645471692
- F. X. Zeng Y. Chen Chin. J. Chem. 2006 24 264 268
- (2006) Chin. J. Chem. , vol.24 , pp. 264-268
- Zeng, F.X.¹ Chen, Y.²

27
- 33746944527
- H. Choi I. Jung K. H. Song K. Song D. S. Shin S. O. Kang J. Ko Tetrahedron 2006 62 9059 9065
- (2006) Tetrahedron , vol.62 , pp. 9059-9065
- Choi, H.¹ Jung, I.² Song, K.H.³ Song, K.⁴ Shin, D.S.⁵ Kang, S.O.⁶ Ko, J.⁷

28
- 68149128536
- Y. W. Zhong N. Vila J. C. Henderson H. D. Abruna Inorg. Chem. 2009 48 7080 7085
- (2009) Inorg. Chem. , vol.48 , pp. 7080-7085
- Zhong, Y.W.¹ Vila, N.² Henderson, J.C.³ Abruna, H.D.⁴

29
- 77149121827
- D. Jacquemin E. A. Perpète F. Maurel A. Perrier J. Phys. Chem. Lett. 2010 1 434 438
- (2010) J. Phys. Chem. Lett. , vol.1 , pp. 434-438
- Jacquemin, D.¹ Perpète, E.A.² Maurel, F.³ Perrier, A.⁴

30
- 77949269538
- D. Jacquemin C. Michaux E. A. Perpète F. Maurel A. Perrier Chem. Phys. Lett. 2010 488 193 197
- (2010) Chem. Phys. Lett. , vol.488 , pp. 193-197
- Jacquemin, D.¹ Michaux, C.² Perpète, E.A.³ Maurel, F.⁴ Perrier, A.⁵

32
- 34848905318
- V. Barone A. Polimeno Chem. Soc. Rev. 2007 36 1724 1731
- (2007) Chem. Soc. Rev. , vol.36 , pp. 1724-1731
- Barone, V.¹ Polimeno, A.²

33
- 61749092912
- D. Jacquemin E. A. Perpète I. Ciofini C. Adamo Acc. Chem. Res. 2009 42 326 334
- (2009) Acc. Chem. Res. , vol.42 , pp. 326-334
- Jacquemin, D.¹ Perpète, E.A.² Ciofini, I.³ Adamo, C.⁴

34
- 70449350937
- D. Jacquemin V. Wathelet E. A. Perpète C. Adamo J. Chem. Theory Comput. 2009 5 2420 2435
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2420-2435
- Jacquemin, D.¹ Wathelet, V.² Perpète, E.A.³ Adamo, C.⁴

35
- 33748419193
- D. Jacquemin E. A. Perpète Chem. Phys. Lett. 2006 429 147 152
- (2006) Chem. Phys. Lett. , vol.429 , pp. 147-152
- Jacquemin, D.¹ Perpète, E.A.²

36
- 32044439605
- W. Chen Z. R. Li D. Wu Y. Li C. C. Sun F. L. Gu Y. Aoki J. Am. Chem. Soc. 2006 128 1072 1073
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 1072-1073
- Chen, W.¹ Li, Z.R.² Wu, D.³ Li, Y.⁴ Sun, C.C.⁵ Gu, F.L.⁶ Aoki, Y.⁷

37
- 35348942302
- A. D. Laurent J. M. André E. A. Perpète D. Jacquemin J. Photochem. Photobiol., A 2007 192 211 219
- (2007) J. Photochem. Photobiol., A , vol.192 , pp. 211-219
- Laurent, A.D.¹ André, J.M.² Perpète, E.A.³ Jacquemin, D.⁴

38
- 33846876753
- E. A. Perpète D. Jacquemin J. Photochem. Photobiol., A 2007 187 40 44
- (2007) J. Photochem. Photobiol., A , vol.187 , pp. 40-44
- Perpète, E.A.¹ Jacquemin, D.²

39
- 34249101293
- A. Perrier F. Maurel J. Aubard J. Photochem. Photobiol., A 2007 189 167 176
- (2007) J. Photochem. Photobiol., A , vol.189 , pp. 167-176
- Perrier, A.¹ Maurel, F.² Aubard, J.³

40
- 34547346523
- E. A. Perpète F. Maurel D. Jacquemin J. Phys. Chem. A 2007 111 5528 5535
- (2007) J. Phys. Chem. A , vol.111 , pp. 5528-5535
- Perpète, E.A.¹ Maurel, F.² Jacquemin, D.³

41
- 56349106872
- F. Maurel A. Perrier E. A. Perpète D. Jacquemin J. Photochem. Photobiol., A 2008 199 211 223
- (2008) J. Photochem. Photobiol., A , vol.199 , pp. 211-223
- Maurel, F.¹ Perrier, A.² Perpète, E.A.³ Jacquemin, D.⁴

42
- 67650803239
- P. D. Patel A. E. Masunov J. Phys. Chem. A 2009 113 8409 8414
- (2009) J. Phys. Chem. A , vol.113 , pp. 8409-8414
- Patel, P.D.¹ Masunov, A.E.²

43
- 65249095537
- A. Staykov K. Yoshizawa J. Phys. Chem. C 2009 113 3826 3834
- (2009) J. Phys. Chem. C , vol.113 , pp. 3826-3834
- Staykov, A.¹ Yoshizawa, K.²

44
- 0001475454
- C. Adamo V. Barone J. Chem. Phys. 1999 110 6158 6170
- (1999) J. Chem. Phys. , vol.110 , pp. 6158-6170
- Adamo, C.¹ Barone, V.²

45
- 0000284436
- M. Ernzerhof G. E. Scuseria J. Chem. Phys. 1999 110 5029 5036
- (1999) J. Chem. Phys. , vol.110 , pp. 5029-5036
- Ernzerhof, M.¹ Scuseria, G.E.²

46
- 28544448728
- A. Dreuw M. Head-Gordon Chem. Rev. 2005 105 4009 4037
- (2005) Chem. Rev. , vol.105 , pp. 4009-4037
- Dreuw, A.¹ Head-Gordon, M.²

47
- 84961980477
- J. Tomasi B. Mennucci R. Cammi Chem. Rev. 2005 105 2999 3094
- (2005) Chem. Rev. , vol.105 , pp. 2999-3094
- Tomasi, J.¹ Mennucci, B.² Cammi, R.³

48
- 84962426273
- M. Cossi V. Barone J. Chem. Phys. 2001 115 4708 4717
- (2001) J. Chem. Phys. , vol.115 , pp. 4708-4717
- Cossi, M.¹ Barone, V.²

49
- 34548510836
- D. Jacquemin E. A. Perpète O. A. Vydrov G. E. Scuseria C. Adamo J. Chem. Phys. 2007 127 094102
- (2007) J. Chem. Phys. , vol.127 , pp. 094102
- Jacquemin, D.¹ Perpète, E.A.² Vydrov, O.A.³ Scuseria, G.E.⁴ Adamo, C.⁵

50
- 38849133661
- M. J. G. Peach P. Benfield T. Helgaker D. J. Tozer J. Chem. Phys. 2008 128 044118
- (2008) J. Chem. Phys. , vol.128 , pp. 044118
- Peach, M.J.G.¹ Benfield, P.² Helgaker, T.³ Tozer, D.J.⁴

51
- 55549085511
- D. Jacquemin E. A. Perpète G. E. Scuseria I. Ciofini C. Adamo Chem. Phys. Lett. 2008 465 226 229
- (2008) Chem. Phys. Lett. , vol.465 , pp. 226-229
- Jacquemin, D.¹ Perpète, E.A.² Scuseria, G.E.³ Ciofini, I.⁴ Adamo, C.⁵

52
- 66749135884
- L. Goerigk J. Moellmann S. Grimme Phys. Chem. Chem. Phys. 2009 11 4611 4620
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 4611-4620
- Goerigk, L.¹ Moellmann, J.² Grimme, S.³

53
- 66849104456
- For the 347 nm (f = 0.59) transition, the six largest contributions involve the LUMO and LUMO+1. The second absorption at 347 nm (f = 0.94) shows nine orbital components, seven of which (and the two largest) include the LUMO and HOMO. Only the third most important component incorporates the LUMO+2, that presents the "photochromic shape". In the 340 nm (f = 0.55), TD-DFT reports five important orbital transitions, the largest and second largest corresponding to an electron promotion to the LUMO+1 and LUMO, respectively. Again, only the third incorporates the LUMO+2. In the last peak, at 336 nm (f = 0.30), the LUMO and LUMO+1 are the virtual orbitals taking part in the five largest components
- M. J. G. Peach C. R. Le Sueur K. Ruud M. Guillaume D. J. Tozer Phys. Chem. Chem. Phys. 2009 11 4465 4470
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 4465-4470
- Peach, M.J.G.¹ Le Sueur, C.R.² Ruud, K.³ Guillaume, M.⁴ Tozer, D.J.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.