SCOPUS 정보 검색 플랫폼

Chemistry - A European Journal

Volumn 18, Issue 23, 2012, Pages 7021-7025

Probing the electronic structure of substituted ferrocenes with high-resolution XANES spectroscopy

(3) Atkins, Andrew J a Jacob, Christoph R a Bauer, Matthias b

a KARLSRUHE INSTITUTE OF TECHNOLOGY (Germany)

b Rheinland Pfälzische Technische Universität Kaiserslautern Landau (Germany)

Author keywords

density functional calculations; ferrocene; HERFD XANES; quantum chemistry; X ray absorption spectroscopy

Indexed keywords

CATALYTIC MECHANISMS; FERROCENE COMPOUNDS; FERROCENES; FLUORESCENCE DETECTED X-RAY ABSORPTION; HERFD-XANES; HIGH-ENERGY RESOLUTION; HIGH-RESOLUTION XANES; IN-SITU;

DENSITY FUNCTIONAL THEORY; IRON COMPOUNDS; ORGANOMETALLICS; QUANTUM CHEMISTRY; TRANSITION METALS; X RAY ABSORPTION NEAR EDGE STRUCTURE SPECTROSCOPY; X RAY ABSORPTION SPECTROSCOPY;

ELECTRONIC STRUCTURE;

EID: 84861595394 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.201200649 Document Type: Article

Times cited : (38)

References (51)

1
- 77952915072
- M. Bauer, C. Gastl, Phys. Chem. Chem. Phys. 2010, 12, 5575-5584
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5575-5584
- Bauer, M.¹ Gastl, C.²

2
- 85013331300
- D. Ferri, M. S. Kumar, R. Wirz, A. Eyssler, O. Korsak, P. Hug, A. Weidenkaff, M. A. Newton, Phys. Chem. Chem. Phys. 2010, 12, 5634-5646
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5634-5646
- Ferri, D.¹ Kumar, M.S.² Wirz, R.³ Eyssler, A.⁴ Korsak, O.⁵ Hug, P.⁶ Weidenkaff, A.⁷ Newton, M.A.⁸

3
- 84938974690
- P. Ghigna, S. Pin, G. Spinolo, M. A. Newton, M. Zema, S. C. Tarantino, G. Capitani, F. Tatti, Phys. Chem. Chem. Phys. 2010, 12, 5547-5550
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5547-5550
- Ghigna, P.¹ Pin, S.² Spinolo, G.³ Newton, M.A.⁴ Zema, M.⁵ Tarantino, S.C.⁶ Capitani, G.⁷ Tatti, F.⁸

4
- 77953113905
- N. Guo, B. R. Fingland, W. D. Williams, V. F. Kispersky, J. Jelic, W. N. Delgass, F. H. Ribeiro, R. J. Meyer, J. T. Miller, Phys. Chem. Chem. Phys. 2010, 12, 5678-5693
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5678-5693
- Guo, N.¹ Fingland, B.R.² Williams, W.D.³ Kispersky, V.F.⁴ Jelic, J.⁵ Delgass, W.N.⁶ Ribeiro, F.H.⁷ Meyer, R.J.⁸ Miller, J.T.⁹

5
- 77953109639
- J. Singh, R. C. Nelson, B. C. Vicente, S. L. Scott, J. A. vanBokhoven, Phys. Chem. Chem. Phys. 2010, 12, 5668-5677.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 5668-5677
- Singh, J.¹ Nelson, R.C.² Vicente, B.C.³ Scott, S.L.⁴ Vanbokhoven, J.A.⁵

6
- 34250660951
- C. Bolm, M. Martin, G. Gescheidt, C. Palivan, T. Stanoeva, H. Bertagnolli, M. Feth, A. Schweiger, G. Mitrikas, J. Harmer, Chem. Eur. J. 2007, 13, 1842-1850
- (2007) Chem. Eur. J. , vol.13 , pp. 1842-1850
- Bolm, C.¹ Martin, M.² Gescheidt, G.³ Palivan, C.⁴ Stanoeva, T.⁵ Bertagnolli, H.⁶ Feth, M.⁷ Schweiger, A.⁸ Mitrikas, G.⁹ Harmer, J.¹⁰

7
- 77954747532
- A. S. K. Hashmi, C. Lothschütz, M. Ackermann, R. Doepp, S. Anantharaman, B. Marchetti, H. Bertagnolli, F. Rominger, Chem. Eur. J. 2010, 16, 8012-8019
- (2010) Chem. Eur. J. , vol.16 , pp. 8012-8019
- Hashmi, A.S.K.¹ Lothschütz, C.² Ackermann, M.³ Doepp, R.⁴ Anantharaman, S.⁵ Marchetti, B.⁶ Bertagnolli, H.⁷ Rominger, F.⁸

8
- 0037122192
- M. Tromp, J. A. vanBokhoven, A. M. Arink, J. H. Bitter, G. vanKoten, D. C. Koningsberger, Chem. Eur. J. 2002, 8, 5667-5678.
- (2002) Chem. Eur. J. , vol.8 , pp. 5667-5678
- Tromp, M.¹ Vanbokhoven, J.A.² Arink, A.M.³ Bitter, J.H.⁴ Vankoten, G.⁵ Koningsberger, D.C.⁶

9
- 79960782004
- M. Bauer, T. Stalinski, E. F. Aziz, ChemPhysChem 2011, 12, 2088-2091.
- (2011) ChemPhysChem , vol.12 , pp. 2088-2091
- Bauer, M.¹ Stalinski, T.² Aziz, E.F.³

10
- 39149116667
- E. Otero, R. G. Wilks, T. Regier, R. I. R. Blyth, A. Moewes, S. G. Urquhart, J. Phys. Chem. A 2008, 112, 624-634.
- (2008) J. Phys. Chem. A , vol.112 , pp. 624-634
- Otero, E.¹ Wilks, R.G.² Regier, T.³ Blyth, R.I.R.⁴ Moewes, A.⁵ Urquhart, S.G.⁶

11
- 11144306352
- P. Glatzel, U. Bergmann, Coord. Chem. Rev. 2005, 249, 65-95
- (2005) Coord. Chem. Rev. , vol.249 , pp. 65-95
- Glatzel, P.¹ Bergmann, U.²

12
- 84856738592
- M. Makosch, C. Kartusch, J. Sá, R. B. Duarte, J. A. vanBokhoven, K. Kvashnina, P. Glatzel, D. L. A. Fernandes, M. Nachtegaal, E. Kleymenov, J. Szlachetko, B. Neuhold, K. Hungerbühler, Phys. Chem. Chem. Phys. 2012, 14, 2164-2170.
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 2164-2170
- Makosch, M.¹ Kartusch, C.² Sá, J.³ Duarte, R.B.⁴ Vanbokhoven, J.A.⁵ Kvashnina, K.⁶ Glatzel, P.⁷ Fernandes, D.L.A.⁸ Nachtegaal, M.⁹ Kleymenov, E.¹⁰ Szlachetko, J.¹¹ Neuhold, B.¹² Hungerbühler, K.¹³

13
- 0037113662
- F. M. F. deGroot, M. H. Krish, J. Vogel, Phys. Rev. B 2002, 66, 1951121
- (2002) Phys. Rev. B , vol.66 , pp. 1951121
- Degroot, F.M.F.¹ Krish, M.H.² Vogel, J.³

14
- 0000893273
- K. Hämäläinen, D. P. Siddons, J. B. Hastings, L. E. Berman, Phys. Rev. Lett. 1991, 67, 2850-2853.
- (1991) Phys. Rev. Lett. , vol.67 , pp. 2850-2853
- Hämäläinen, K.¹ Siddons, D.P.² Hastings, J.B.³ Berman, L.E.⁴

15
- 70349963501
- J. Singh, E. M. C. Alayon, M. Tromp, O. V. Safonova, P. Glatzel, M. Nachtegaal, R. Frahm, J. A. vanBokhoven, Angew. Chem. 2008, 120, 9400-9404
- (2008) Angew. Chem. , vol.120 , pp. 9400-9404
- Singh, J.¹ Alayon, E.M.C.² Tromp, M.³ Safonova, O.V.⁴ Glatzel, P.⁵ Nachtegaal, M.⁶ Frahm, R.⁷ Vanbokhoven, J.A.⁸

16
- 84857542781
- E. Kleymenov, J. Sa, J. Abu-Dahrieh, D. Rooney, J. A. vanBokhoven, E. Troussard, J. Szlachetko, O. V. Safonova, M. Nachtegaal, Catal. Sci. Technol. 2012, 2, 373-378
- (2012) Catal. Sci. Technol. , vol.2 , pp. 373-378
- Kleymenov, E.¹ Sa, J.² Abu-Dahrieh, J.³ Rooney, D.⁴ Vanbokhoven, J.A.⁵ Troussard, E.⁶ Szlachetko, J.⁷ Safonova, O.V.⁸ Nachtegaal, M.⁹

17
- 58849099505
- S. G. Eeckhout, O. V. Safonova, G. Smolentsev, M. Biasioli, V. A. Safonov, L. N. Vykhodtseva, M. Sikora, P. Glatzel, J. Anal. At. Spectrom. 2009, 24, 215-223
- (2009) J. Anal. At. Spectrom. , vol.24 , pp. 215-223
- Eeckhout, S.G.¹ Safonova, O.V.² Smolentsev, G.³ Biasioli, M.⁴ Safonov, V.A.⁵ Vykhodtseva, L.N.⁶ Sikora, M.⁷ Glatzel, P.⁸

18
- 84859343058
- J. Sa, N. Barrabes, E. Kleymenov, C. Lin, K. Fottinger, O. V. Safonova, J. Szlachetko, J. A. vanBokhoven, M. Nachtegaal, A. Urakawa, G. A. Crespo, G. Rupprechter, Catal. Sci. Techn. 2012, 2, 794-799
- (2012) Catal. Sci. Techn. , vol.2 , pp. 794-799
- Sa, J.¹ Barrabes, N.² Kleymenov, E.³ Lin, C.⁴ Fottinger, K.⁵ Safonova, O.V.⁶ Szlachetko, J.⁷ Vanbokhoven, J.A.⁸ Nachtegaal, M.⁹ Urakawa, A.¹⁰ Crespo, G.A.¹¹ Rupprechter, G.¹²

19
- 78449312601
- J. Singh, C. Lamberti, J. A. vanBokhoven, Chem. Soc. Rev. 2010, 39, 4754-4766.
- (2010) Chem. Soc. Rev. , vol.39 , pp. 4754-4766
- Singh, J.¹ Lamberti, C.² Vanbokhoven, J.A.³

20
- 80052189793
- M. A. Beckwith, M. Roemelt, M.-N. L. Collomb, C. DuBoc, T.-C. Weng, U. Bergmann, P. Glatzel, F. Neese, S. DeBeer, Inorg. Chem. 2011, 50, 8397-8409
- (2011) Inorg. Chem. , vol.50 , pp. 8397-8409
- Beckwith, M.A.¹ Roemelt, M.² Collomb, M.-N.L.³ Duboc, C.⁴ Weng, T.-C.⁵ Bergmann, U.⁶ Glatzel, P.⁷ Neese, F.⁸ Debeer, S.⁹

21
- 58149152852
- S. deBeerGeorge, T. Petrenko, F. Neese, J. Phys. Chem. A 2008, 112, 12936-12943
- (2008) J. Phys. Chem. A , vol.112 , pp. 12936-12943
- Debeergeorge, S.¹ Petrenko, T.² Neese, F.³

22
- 39049087114
- S. deBeerGeorge, T. Petrenko, F. Neese, Inorg. Chim. Acta 2008, 361, 965-972
- (2008) Inorg. Chim. Acta , vol.361 , pp. 965-972
- Debeergeorge, S.¹ Petrenko, T.² Neese, F.³

23
- 80155213682
- M. U. Delgado-Jaime, B. R. Dible, K. P. Chiang, W. W. Brennessel, U. Bergmann, P. L. Holland, S. DeBeer, Inorg. Chem. 2011, 50, 10709-10717
- (2011) Inorg. Chem. , vol.50 , pp. 10709-10717
- Delgado-Jaime, M.U.¹ Dible, B.R.² Chiang, K.P.³ Brennessel, W.W.⁴ Bergmann, U.⁵ Holland, P.L.⁶ Debeer, S.⁷

24
- 77954640213
- N. Lee, T. Petrenko, U. Bergmann, F. Neese, S. DeBeer, J. Am. Chem. Soc. 2010, 132, 9715-9727
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 9715-9727
- Lee, N.¹ Petrenko, T.² Bergmann, U.³ Neese, F.⁴ Debeer, S.⁵

25
- 84055212256
- C. C. Scarborough, S. Sproules, T. Weyhermüller, S. DeBeer, K. Wieghardt, Inorg. Chem. 2011, 50, 12446-12462
- (2011) Inorg. Chem. , vol.50 , pp. 12446-12462
- Scarborough, C.C.¹ Sproules, S.² Weyhermüller, T.³ Debeer, S.⁴ Wieghardt, K.⁵

26
- 84861586494
- J. B. H. Strautmann, C.-G. FreiherrvonRichthofen, G. Heinze- Brückner, S. DeBeer, E. Bothe, E. Bill, T. Weyhermüller, A. Stammler, H. Bögge, T. Glaser, Inorg. Chem. 2010, 49, 155-171.
- (2010) Inorg. Chem. , vol.49 , pp. 155-171
- Strautmann, J.B.H.¹ Freiherrvonrichthofen, C.-G.² Heinze-Brückner, G.³ Debeer, S.⁴ Bothe, E.⁵ Bill, E.⁶ Weyhermüller, T.⁷ Stammler, A.⁸ Bögge, H.⁹ Glaser, T.¹⁰

27
- 84859011936
- A. Mijovilovich, H. Hayashi, N. Kawamura, H. Osawa, P. C. A. Bruijnincx, R. J. M. KleinGebbink, F. M. F. deGroot, B. M. Weckhuysen, Eur. J. Inorg. Chem. 2012, 1589-1597.
- (2012) Eur. J. Inorg. Chem. , pp. 1589-1597
- Mijovilovich, A.¹ Hayashi, H.² Kawamura, N.³ Osawa, H.⁴ Bruijnincx, P.C.A.⁵ Kleingebbink, R.J.M.⁶ Degroot, F.M.F.⁷ Weckhuysen, B.M.⁸

28
- 33646099282
- M. Bochmann, J. Chem. Soc. Dalton Trans. 1996, 255-270
- (1996) J. Chem. Soc. Dalton Trans. , pp. 255-270
- Bochmann, M.¹

29
- 0000868845
- H.-H. Brintzinger, D. Fischer, R. Mülhaupt, B. Rieger, R. M. Waymouth, Angew. Chem. 1995, 107, 1255-1283
- (1995) Angew. Chem. , vol.107 , pp. 1255-1283
- Brintzinger, H.-H.¹ Fischer, D.² Mülhaupt, R.³ Rieger, B.⁴ Waymouth, R.M.⁵

30
- 33746295241
- Angew. Chem. Int. Ed. Engl. 1995, 34, 1143-1170
- (1995) Angew. Chem. Int. Ed. Engl. , vol.34 , pp. 1143-1170

31
- 0033608107
- D. Veghini, L. M. Henling, T. J. Burkhardt, J. E. Bercaw, J. Am. Chem. Soc. 1999, 121, 564-573.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 564-573
- Veghini, D.¹ Henling, L.M.² Burkhardt, T.J.³ Bercaw, J.E.⁴

32
- 61849154454
- U. Siemeling, D. Rother, C. Bruhn, Organometallics 2008, 27, 6419-6426.
- (2008) Organometallics , vol.27 , pp. 6419-6426
- Siemeling, U.¹ Rother, D.² Bruhn, C.³

33
- 0007201961
- H. Schottenberger, K. Wurst, M. R. Buchmeiser, J. Organomet. Chem. 1999, 584, 301-309.
- (1999) J. Organomet. Chem. , vol.584 , pp. 301-309
- Schottenberger, H.¹ Wurst, K.² Buchmeiser, M.R.³

34
- 65949109280
- J. Martin, J. Baker, P. Pulay, J. Comput. Chem. 2009, 30, 881-883
- (2009) J. Comput. Chem. , vol.30 , pp. 881-883
- Martin, J.¹ Baker, J.² Pulay, P.³

35
- 34548575217
- G. Zhang, H. Zhang, M. Sun, Y. Liu, X. Pang, X. Yu, B. Liu, Z. Li, J. Comput. Chem. 2007, 28, 2260-2274
- (2007) J. Comput. Chem. , vol.28 , pp. 2260-2274
- Zhang, G.¹ Zhang, H.² Sun, M.³ Liu, Y.⁴ Pang, X.⁵ Yu, X.⁶ Liu, B.⁷ Li, Z.⁸

36
- 42449141588
- A. Boccia, A. G. Marrani, S. Stranges, R. Zanoni, M. Alagia, M. Cossi, M. F. Iozzi, J. Chem. Phys. 2008, 128, 1543151-1543159.
- (2008) J. Chem. Phys. , vol.128 , pp. 1543151-1543159
- Boccia, A.¹ Marrani, A.G.² Stranges, S.³ Zanoni, R.⁴ Alagia, M.⁵ Cossi, M.⁶ Iozzi, M.F.⁷

37
- 72949104526
- E. Otero, N. Kosugi, S. G. Urquhart, J. Chem. Phys. 2009, 131, 1143131-1143131.
- (2009) J. Chem. Phys. , vol.131 , pp. 1143131-1143131
- Otero, E.¹ Kosugi, N.² Urquhart, S.G.³

38
- 0038330582
- N. Stener, G. Fronzoni, M. deSimone, Chem. Phys. Lett. 2003, 373, 115-123.
- (2003) Chem. Phys. Lett. , vol.373 , pp. 115-123
- Stener, N.¹ Fronzoni, G.² Desimone, M.³

39
- 4243553426
- A. Becke, Phys. Rev. A 1988, 38, 3098-3100
- (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
- Becke, A.¹

40
- 5944261746
- J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824.
- (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
- Perdew, J.P.¹

41
- 0000189651
- A. Becke, J. Chem. Phys. 1993, 98, 5648-5652
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.¹

42
- 0345491105
- C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
- (1988) Phys. Rev. B , vol.37 , pp. 785-789
- Lee, C.¹ Yang, W.² Parr, R.G.³

43
- 47949104059
- J. F. Berry, S. DeBeerGeorge, F. Neese, Phys. Chem. Chem. Phys. 2008, 10, 4361-4374
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 4361-4374
- Berry, J.F.¹ Debeergeorge, S.² Neese, F.³

44
- 84987068015
- C. Daul, Int. J. Quantum Chem. 1994, 52, 867-877
- (1994) Int. J. Quantum Chem. , vol.52 , pp. 867-877
- Daul, C.¹

45
- 0010297377
- T. Ziegler, A. Rauk, E. J. Baerends, Theor. Chim. Acta 1977, 43, 261-271.
- (1977) Theor. Chim. Acta , vol.43 , pp. 261-271
- Ziegler, T.¹ Rauk, A.² Baerends, E.J.³

46
- 0033470358
- C. Gauthier, V. A. Sole, R. Signorato, J. Goulon, E. Moguiline, J. Synchrotron Radiat. 1999, 6, 164-166.
- (1999) J. Synchrotron Radiat. , vol.6 , pp. 164-166
- Gauthier, C.¹ Sole, V.A.² Signorato, R.³ Goulon, J.⁴ Moguiline, E.⁵

47
- 0001519141
- P. Carra, M. Fabrizio, B. T. Thole, Phys. Rev. Lett. 1995, 74, 3700-3703.
- (1995) Phys. Rev. Lett. , vol.74 , pp. 3700-3703
- Carra, P.¹ Fabrizio, M.² Thole, B.T.³

48
- 0012918529
- Vrije Universiteit Amsterdam, Amsterdam
- Amsterdam Density Funtional Program, Vrije Universiteit Amsterdam, Amsterdam, 2010
- (2010) Amsterdam Density Funtional Program

49
- 20644438873
- G. teVelde, F. M. Bickelhaupt, S. J. vanGisbergen, C. FonsecaGuerra, E. J. Baerends, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
- (2001) J. Comput. Chem. , vol.22 , pp. 931-967
- Tevelde, G.¹ Bickelhaupt, F.M.² Vangisbergen, S.J.³ Fonsecaguerra, C.⁴ Baerends, E.J.⁵ Snijders, J.G.⁶ Ziegler, T.⁷

50
- 0003984036
- Version 2.8.0, University of Bonn, Bonn, Germany
- ORCA: An ab initio, and semiempirical Electronic Structure Package, Version 2.8.0, University of Bonn, Bonn, Germany, 2010.
- (2010) ORCA: An Ab Initio, and Semiempirical Electronic Structure Package

51
- 26244461462
- F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297-3305.
- (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 3297-3305
- Weigend, F.¹ Ahlrichs, R.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.