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Volumn 14, Issue 7, 2008, Pages 2084-2092

The isomers of gadolinium scandium nitride clusterfullerenes Gd xSc3-xN@C80 (x=1, 2) and their influence on cluster structure

(4) Yang, Shangfeng a Popov, Alexey a,b Kalbac, Martin a,c Dunsch, Lothar a

a IFW DRESDEN (Germany)

b MOSCOW STATE UNIVERSITY (Russian Federation)

c J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY (Czech Republic)

Author keywords

Cluster compounds; Fullerenes; Lanthanides; Structure elucidation; Vibrational spectroscopy

Indexed keywords

GADOLINIUM; NITRIDES; SCANDIUM;

CLUSTER COMPOUNDS; FULLERENES; LANTHANIDES; STRUCTURE ELUCIDATION; VIBRATIONAL SPECTROSCOPY;

ISOMERS;

EID: 45549087278 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.200701598 Document Type: Article

Times cited : (59)

References (46)

1
- 34547842101
- For recent reviews, see: a
- For recent reviews, see: a) L. Dunsch, S. Yang, Small, 2007, 3, 1298-1320;
- (2007) Small , vol.3 , pp. 1298-1320
- Dunsch, L.¹ Yang, S.²

2
- 34447256175
- b) L. Dunsch, S. Yang, Phys. Chem. Chem. Phys. 2007, 9, 3067-3081;
- (2007) Phys. Chem. Chem. Phys , vol.9 , pp. 3067-3081
- Dunsch, L.¹ Yang, S.²

3
- 33747066178
- c) L. Dunsch, S. Yang, Electrochem. Soc. Interface 2006, 15(2), 34-39.
- (2006) Electrochem. Soc. Interface , vol.15 , Issue.2 , pp. 34-39
- Dunsch, L.¹ Yang, S.²

4
- 0033517306
- S. Stevenson, G. Rice, T. Glass, K. Harich, F. Cromer, M. R. Jordan, J. Craft, E. Hajdu, R. Bible, M. M. Olmstead, K. Maitra, A. J. Fisher, A. L. Balch, H. C. Dorn, Nature 1999, 401, 55-57.
- (1999) Nature , vol.401 , pp. 55-57
- Stevenson, S.¹ Rice, G.² Glass, T.³ Harich, K.⁴ Cromer, F.⁵ Jordan, M.R.⁶ Craft, J.⁷ Hajdu, E.⁸ Bible, R.⁹ Olmstead, M.M.¹⁰ Maitra, K.¹¹ Fisher, A.J.¹² Balch, A.L.¹³ Dorn, H.C.¹⁴

5
- 0942289611
- L. Dunsch, M. Krause, J. Noack, P. Georgi, J. Phys. Chem. Solids 2004, 65, 309-315.
- (2004) J. Phys. Chem. Solids , vol.65 , pp. 309-315
- Dunsch, L.¹ Krause, M.² Noack, J.³ Georgi, P.⁴

6
- 22744455541
- a) S. F. Yang, L. Dunsch, J. Phys. Chem. B 2005, 109, 12320-12328;
- (2005) J. Phys. Chem. B , vol.109 , pp. 12320-12328
- Yang, S.F.¹ Dunsch, L.²

7
- 29544434147
- b) S. F. Yang, L. Dunsch, Chem. Eur. J. 2006, 12, 413-419;
- (2006) Chem. Eur. J , vol.12 , pp. 413-419
- Yang, S.F.¹ Dunsch, L.²

8
- 33750311819
- c) S. F. Yang, M. Kalbac, A. Popov, L. Dunsch, Chem. Eur. J. 2006, 12, 7856-7862;
- (2006) Chem. Eur. J , vol.12 , pp. 7856-7862
- Yang, S.F.¹ Kalbac, M.² Popov, A.³ Dunsch, L.⁴

9
- 33845969543
- d) S. F. Yang, S. Troyanov, A. Popov, M. Krause, L. Dunsch, J. Am. Chem. Soc. 2006, 128, 16733-16739;
- (2006) J. Am. Chem. Soc , vol.128 , pp. 16733-16739
- Yang, S.F.¹ Troyanov, S.² Popov, A.³ Krause, M.⁴ Dunsch, L.⁵

10
- 34547848622
- e) S. F. Yang, A. Popov, L. Dunsch, Angew. Chem. 2007, 119, 1278-1281;
- (2007) Angew. Chem , vol.119 , pp. 1278-1281
- Yang, S.F.¹ Popov, A.² Dunsch, L.³

11
- 34247550648
- Angew. Chem. Int. Ed. 2007, 46, 1256-1259;
- (2007) Angew. Chem. Int. Ed , vol.46 , pp. 1256-1259

12
- 34748913193
- f) A. A. Popov, L. Dunsch, J. Am. Chem. Soc. 2007, 129, 11835-11849.
- (2007) J. Am. Chem. Soc , vol.129 , pp. 11835-11849
- Popov, A.A.¹ Dunsch, L.²

13
- 5044235873
- a) M. Krause, L. Dunsch, ChemPhysChem 2004, 5, 1445-1449;
- (2004) ChemPhysChem , vol.5 , pp. 1445-1449
- Krause, M.¹ Dunsch, L.²

14
- 12444252034
- b) M. Krause, J. Wong, L. Dunsch, Chem. Eur. J. 2005, 11, 706-711;
- (2005) Chem. Eur. J , vol.11 , pp. 706-711
- Krause, M.¹ Wong, J.² Dunsch, L.³

15
- 29544446363
- c) M. Krause, L. Dunsch, Angew. Chem. 2005, 117, 1581-1584;
- (2005) Angew. Chem , vol.117 , pp. 1581-1584
- Krause, M.¹ Dunsch, L.²

16
- 16244411141
- Angew. Chem. Int. Ed. 2005, 44, 1557-1560;
- (2005) Angew. Chem. Int. Ed , vol.44 , pp. 1557-1560

17
- 33748139772
- d) M. Krause, A. Popov, L. Dunsch, ChemPhysChem 2006, 7, 1734-1740.
- (2006) ChemPhysChem , vol.7 , pp. 1734-1740
- Krause, M.¹ Popov, A.² Dunsch, L.³

18
- 0034645603
- a) M. M. Olmstead, A. de Bettencourt-Dias, J. C. Duchamp, S. Stevenson, H. C. Dorn, A. L. Balch, J. Am. Chem. Soc. 2000, 122, 12220-12226;
- (2000) J. Am. Chem. Soc , vol.122 , pp. 12220-12226
- Olmstead, M.M.¹ de Bettencourt-Dias, A.² Duchamp, J.C.³ Stevenson, S.⁴ Dorn, H.C.⁵ Balch, A.L.⁶

19
- 0001700708
- b) R. M. Macfarlane, D. S. Bethune, S. Stevenson, H. C. Dorn, Chem. Phys. Lett. 2001, 343, 229-234;
- (2001) Chem. Phys. Lett , vol.343 , pp. 229-234
- Macfarlane, R.M.¹ Bethune, D.S.² Stevenson, S.³ Dorn, H.C.⁴

20
- 0036473470
- c) I. N. Ioffe, A. S. Ievlev, O. V. Boltalina, L. N. Sidorov, H. C. Dorn, S. Stevenson, G. Rice, Int. J. Mass Spectrom. 2002, 213, 183-189.
- (2002) Int. J. Mass Spectrom , vol.213 , pp. 183-189
- Ioffe, I.N.¹ Ievlev, A.S.² Boltalina, O.V.³ Sidorov, L.N.⁴ Dorn, H.C.⁵ Stevenson, S.⁶ Rice, G.⁷

21
- 0034707023
- S. Stevenson, P. W. Fowler, T. Heine, J. C. Duchamp, G. Rice, T. Glass, K. Harich, E. Hajdu, R. Bible, H. C. Dorn, Nature 2000, 408, 427-428.
- (2000) Nature , vol.408 , pp. 427-428
- Stevenson, S.¹ Fowler, P.W.² Heine, T.³ Duchamp, J.C.⁴ Rice, G.⁵ Glass, T.⁶ Harich, K.⁷ Hajdu, E.⁸ Bible, R.⁹ Dorn, H.C.¹⁰

22
- 0346742515
- E. B. Iezzi, J. C. Duchamp, K. R. Fletcher, T. E. Glass, H. C. Dorn, Nano Lett. 2002, 2, 1187-1190.
- (2002) Nano Lett , vol.2 , pp. 1187-1190
- Iezzi, E.B.¹ Duchamp, J.C.² Fletcher, K.R.³ Glass, T.E.⁴ Dorn, H.C.⁵

23
- 33746003967
- X. L. Wang, T. M. Zuo, M. M. Olmstead, J. C. Duchamp, T. E. Glass, F. Cromer, A. L. Balch, H. C. Dorn, J. Am. Chem. Soc. 2006, 128, 8884-8889.
- (2006) J. Am. Chem. Soc , vol.128 , pp. 8884-8889
- Wang, X.L.¹ Zuo, T.M.² Olmstead, M.M.³ Duchamp, J.C.⁴ Glass, T.E.⁵ Cromer, F.⁶ Balch, A.L.⁷ Dorn, H.C.⁸

24
- 34548251930
- N. Chen, L. Z. Fan, K. Tan, Y.Q Wu, C. Y. Shu, X. Lu, C. R. Wang, J. Phys. Chem. C 2007, 111, 11823-11828.
- (2007) J. Phys. Chem. C , vol.111 , pp. 11823-11828
- Chen, N.¹ Fan, L.Z.² Tan, K.³ Wu, Y.Q.⁴ Shu, C.Y.⁵ Lu, X.⁶ Wang, C.R.⁷

25
- 0004250441
- Clarendon Press, Oxford
- P. W. Fowler, D. E. Manolopoulos, An Atlas of Fullerenes, Clarendon Press, Oxford, 1995.
- (1995) An Atlas of Fullerenes
- Fowler, P.W.¹ Manolopoulos, D.E.²

26
- 33748951397
- S. F. Yang, M. Kalbac, A. Popov, L. Dunsch, ChemPhysChem 2006, 7, 1990-1995.
- (2006) ChemPhysChem , vol.7 , pp. 1990-1995
- Yang, S.F.¹ Kalbac, M.² Popov, A.³ Dunsch, L.⁴

27
- 34249323341
- N. Chen, E. Zhang, K. Tan, C. R. Wang, X. Lu, Org. Lett. 2007, 9, 2011-2013.
- (2007) Org. Lett , vol.9 , pp. 2011-2013
- Chen, N.¹ Zhang, E.² Tan, K.³ Wang, C.R.⁴ Lu, X.⁵

28
- 53849083391
- 80 (II) was reported in ref. [5c] but has not been isolated yet.
- 80 (II) was reported in ref. [5c] but has not been isolated yet.

29
- 53849105721
- 80 (II) isolated so far was not sufficient for Raman spectroscopic study.
- 80 (II) isolated so far was not sufficient for Raman spectroscopic study.

30
- 0035828670
- M. Krause, H. Kuzmany, P. Georgi, L. Dunsch, K. Vietze, G. Seifert, J. Chem. Phys. 2001, 115, 6596-6605.
- (2001) J. Chem. Phys , vol.115 , pp. 6596-6605
- Krause, M.¹ Kuzmany, H.² Georgi, P.³ Dunsch, L.⁴ Vietze, K.⁵ Seifert, G.⁶

31
- 53849137623
- Note that a more complex spectroscopic pattern is observed at lower temperatures with the number of low-energy Raman lines exceeding that expected for these molecules on the base of the calculations (see Figure S3 in the Supporting Information, The additional lines could be caused by crystal-field splitting see ref, 16, as well as by different cluster positions inside the cage. Their detailed assignment is not possible at this time
- Note that a more complex spectroscopic pattern is observed at lower temperatures with the number of low-energy Raman lines exceeding that expected for these molecules on the base of the calculations (see Figure S3 in the Supporting Information). The additional lines could be caused by crystal-field splitting (see ref. [16]) as well as by different cluster positions inside the cage. Their detailed assignment is not possible at this time.

32
- 11244328940
- S. Stevensen, J. P. Phillips, J. E. Reid, M. M. Olmstead, S. P. Rath, A. L. Balch, Chem. Commun. 2004, 2814-2815.
- (2004) Chem. Commun , pp. 2814-2815
- Stevensen, S.¹ Phillips, J.P.² Reid, J.E.³ Olmstead, M.M.⁴ Rath, S.P.⁵ Balch, A.L.⁶

33
- 33847310293
- T. M. Zuo, C. M. Beavers, J. C. Duchamp, A. Campbell, H. C. Dorn, M. M. Olmstead, A. L. Balch, J. Am. Chem. Soc. 2007, 129, 2035-2043.
- (2007) J. Am. Chem. Soc , vol.129 , pp. 2035-2043
- Zuo, T.M.¹ Beavers, C.M.² Duchamp, J.C.³ Campbell, A.⁴ Dorn, H.C.⁵ Olmstead, M.M.⁶ Balch, A.L.⁷

34
- 33745713579
- T. Cai, L. S. Xu, M. R. Anderson, Z. X. Ge, T. M. Zuo, X. L. Wang, M. M. Olmstead, A. L. Balch, H. W. Gibson, H. C. Dorn, J. Am. Chem. Soc. 2006, 128, 8581-8589.
- (2006) J. Am. Chem. Soc , vol.128 , pp. 8581-8589
- Cai, T.¹ Xu, L.S.² Anderson, M.R.³ Ge, Z.X.⁴ Zuo, T.M.⁵ Wang, X.L.⁶ Olmstead, M.M.⁷ Balch, A.L.⁸ Gibson, H.W.⁹ Dorn, H.C.¹⁰

35
- 33846042626
- a) J. Lu, R. F. Sabirianov, W. N. Mei, Y. Gao, C. Duan, X. Zeng, J. Phys. Chem. B 2006, 110, 23637-23640;
- (2006) J. Phys. Chem. B , vol.110 , pp. 23637-23640
- Lu, J.¹ Sabirianov, R.F.² Mei, W.N.³ Gao, Y.⁴ Duan, C.⁵ Zeng, X.⁶

36
- 33947693406
- b) M. C. Qian, S. V. Ong, S. N. Kahnna, M. B. Knickelbein, Phys. Rev. B 2007, 75, 104424.
- (2007) Phys. Rev. B , vol.75 , pp. 104424
- Qian, M.C.¹ Ong, S.V.² Kahnna, S.N.³ Knickelbein, M.B.⁴

37
- 33947646466
- S. Abdelouahed, B. Baadji, M. Alouani, Phys. Rev. B 2007, 75, 094428, and references therein b The gaps for the spin-up and spindown orbitals are considerably different. This can be explained by the importance of the correlation effects for the highly localized 4f orbitals. It was shown for Gd that conventional DFT methods significantly underestimate the splitting between occupied and unoccupied 4f bands and the energies of unoccupied 4f-based states.[22a] At the same time, the energies of 5d and 6s bands are predicted with reasonable accuracy, 22a] Hence, we consider that the gaps for spindown orbitals predicted in this work for GdxSc3-xN@C80 are affected by the inadequate treatment of the vacant 4f orbitals of Gd, and hence physically meaningful values can be obtained only for spin-up orbitals, which are therefore discussed here. Note that the description of the 4f states can be improved by introduction of
- 80 will be addressed in future work.

38
- 36749108838
- a) L. Noodleman, J. Chem. Phys. 1981, 74, 5737-5743;
- (1981) J. Chem. Phys , vol.74 , pp. 5737-5743
- Noodleman, L.¹

39
- 31544446347
- b) L. E. Roy, T. Hughbanks. J. Am. Chem. Soc. 2005, 128, 568-575;
- (2005) J. Am. Chem. Soc , vol.128 , pp. 568-575
- Roy, L.E.¹ Hughbanks, T.²

40
- 0001379854
- c) L. Noodleman, D. A. Case, A. Aizman, J. Am. Chem. Soc. 1988, 110, 1001-1005.
- (1988) J. Am. Chem. Soc , vol.110 , pp. 1001-1005
- Noodleman, L.¹ Case, D.A.² Aizman, A.³

41
- 36449000033
- a) K. G. Dyall, J. Chem. Phys. 1994, 100, 2118-2127;
- (1994) J. Chem. Phys , vol.100 , pp. 2118-2127
- Dyall, K.G.¹

42
- 53849146302
- France, June
- b) D. N. Laikov, Abstracts DFT2000 Satellite Symposium of the 10th Int. Congress of Quantum Chemistry, France, June 2000, P43.
- (2000) Satellite Symposium of the 10th Int. Congress of Quantum Chemistry
- Laikov, D.N.¹ Abstracts, D.F.T.²

43
- 0031578979
- a) D. N. Laikov, Chem. Phys. Lett. 1997, 281, 151-156;
- (1997) Chem. Phys. Lett , vol.281 , pp. 151-156
- Laikov, D.N.¹

44
- 25144474512
- b) D. N. Laikov, Yu. A. Ustynyuk, Russ. Chem. Bull. Int. Ed. 2005, 54, 820-826;
- (2005) Russ. Chem. Bull. Int. Ed , vol.54 , pp. 820-826
- Laikov, D.N.¹ Ustynyuk, Y.A.²

45
- 33644541414
- c) D. N. Laikov, Chem. Phys. Lett. 2005, 416, 116-120.
- (2005) Chem. Phys. Lett , vol.416 , pp. 116-120
- Laikov, D.N.¹

46
- 4243943295
- J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
- (1996) Phys. Rev. Lett , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

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