Theoretical Understanding of Anisotropy in Molecular Nanomagnets

Structure and Bonding

Volumn 164, Issue , 2015, Pages 185-230

  Chibotaru, Liviu F ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Ab initio calculations; Magnetic anisotropy; Magnetic properties; Magnetization blocking; Metal complexes; Single molecule magnets

Indexed keywords

EID: 84924190359     PISSN: 00815993     EISSN: 16168550     Source Type: Book Series    
DOI: 10.1007/430-2014-171     Document Type: Article

References (112)

1. Sessoli R, Gatteschi D, Caneschi A, Novak MA (1993) Nature 365:141
2. Christou G, Gatteschi D, Hendrickson DN, Sessoli R (2000) Mater Res Bull 25:66
3. Gatteschi D, Sessoli R, Villain J (2006) Molecular nanomagnets. Oxford University Press, Oxford
4. Aromi G, Brechin EK (2006) In: Winpenny REP (ed) Single-molecule magnets and related phenomena, vol 122. Structre Bonding, p 1
5. Woodruff DN, Winpenny REP, Layfield RA (2013) Chem Rev 113:5110
6. Kahn O, Larionova J, Quahab L (1999) Chem Commun 11:945
7. Bencini A, Gatteschi D (1990) Electron paramagnetic resonance of exchange coupled systems. Springer, Berlin
8. Kahn O (1993) Molecular magnetism. Wiley-VCH, Weinheim
9. Chibotaru LF, Ungur L, Soncini A (2008) Angew Chem Int Ed 47:4126
10. Görller-Warland C, Binnemans K (1998) Spectral intensities of f-f transitions. In: Gschneidner KA Jr, Eyring L (eds) Handbook on the physics and chemistry of rare earths, vol 25. Elsevier, Amsterdam, p 101
11. Bloor D, Copland GM (1972) Rep Prog Phys 35:1173
12. Furrer A, Waldmann O (2013) Rev Mod Phys 85:367
13. Mannini M, Pineider F, Danieli C, Totti F, Sorace L, Sainctavit PH, Arrio M-A, Otero E, Joly L, Cezar JC, Cornia A, Sessoli R (2010) Nature 468:417
14. Barra AL, Gatteschi D, Sessoli R (1996) Phys Rev B 56:8192
15. Abragam A (1961) The principles of nuclear magnetism. Clarendon, Oxford
16. Bernot K, Luzon J, Bogani L, Etienne M, Sangregorio C, Shanmugam M, Caneschi A, Sessoli R, Gatteschi D (2009) J Am Chem Soc 131:5573
17. Boulon M-E, Cucinotta G, Liu S-S, Jiang S-D, Ungur L, Chibotaru LF, Gao S, Sessoli R (2013) Chem Eur J 19:13726
18. Ishikawa N, Sugita M, Ishikawa T, Koshihara S, Kaizu Y (2004) J Phys Chem B 108:11265
19. AlDamen MA, Clemente-Juan JM, Coronado E, Martí-Gastaldo C, Gaito-Ariño A (2008) J Am Chem Soc 130:8874
20. Aquilante F, Vico LD, Ferré N, Ghigo G, Malmqvist PÅ, Neográdi P, Pedersen TB, Pitoňák M, Reiher M, Roos BO, Serrano-Andrés L, Urban M, Veryazov V, Lindh R (2010) J Comput Chem 31:224
21. Chibotaru LF, Ungur L (2012) J Chem Phys 137:064112
22. Weinberger P (2009) Magnetic anisotropies in nanostructured matter. CRC Press, Boca Raton
23. Néel L (1949) Annu Geophys 5:99
24. Coulon C, Miyasaka H, Clérac R (2006) Single-chain magnets: theoretical approach and experimental systems. In: Winpenny REP (ed) Single-molecule magnets and related phenomena, vol 122. Structure Bonding, p 163
25. Abragam A, Bleaney B (1970) Electron paramagnetic resonance of transition ions. Oxford University Press, Oxford
26. Landau LD, Lifshitz EM (1975) Quantum mechanics, 2nd edn. Pergamon, Oxford
27. Moriya T (1963) Weak ferromagnetism. In: Rado GT, Suhl H (eds) Magnetism, vol 1. Academic, New York, p 85
28. Ashcroft NW, Mermin ND (1976) Solid state physics. Saunders College, Philadelphia
29. Villain J, Hartmann-Boutron F, Sessoli R, Rettori A (1994) Europhys Lett 27:159
30. Garanin DA, Chudnovsky EM (1997) Phys Rev B 56:11102
31. Leuenberger MN, Loss D (1999) Europhys Lett 46:692
32. Stoner EC, Wohlfarth EP (1948) Phil Trans Lond Ser A 240:599
33. Beown WF Jr (1963) Phys Rev 130:1677
34. Frenkel J, Dorfman J (1930) Nature 126:274
35. Kittel C (1946) Phys Rev 70:965
36. Thompson DA, Best JS (2000) IBM J Res Dev 44:311
37. Wernsdorfer W (2001) Classical and quantum magnetization reversal studied in nanometersized particles and clusters. In: Rice SA, Dinner AR (eds) Advance in chemical physics, vol 118, p 99
38. Bedanta S, Kleemann W (2009) J Phys D Appl Phys 42:013001
39. Al'tshuler SA, Kozyrev BM (1974) Electron paramagnetic resonance in compounds of transition elements. Wiley, New York
40. Chibotaru LF (2013) Ab initio methodologies for pseudospin Hamiltonians of anisotropic magnetic complexes. In: Rice SA, Dinner AR (eds) Advance in chemical physics, vol 153, p 397
41. Figgis BN, Hitchman MA (1999) Ligand field theory and its applications. Wiley-VCH, New York
42. Neese F (2001) Int J Quant Chem 83:104
43. Kaupp M, Bühl M, Malkin VG (eds) (2004) Calculation of NMR and EPR parameters. Wiley-VCH, Weinheim
44. Maganas D, Sottini S, Kyritsis P, Groenen EJJ, Neese F (2011) Inorg Chem 50:8741
45. Arratia-Pérez R, Hernandez-Acevedo L, Malli GL (2001) J Chem Phys 121:7743
46. Quiney HM, Belanzoni P (2002) Chem Phys Lett 353:253
47. Neese F, Solomon E (1998) Inorg Chem 37:6568
48. Pederson MR, Khanna SN (1999) Phys Rev B 60:9566
49. Postnikov AV, Kortus J, Pederson MR (2006) Phys Stat Sol B 243:2533
50. Atanasov M, Comba P, Daul CA (2008) Inorg Chem 47:2449
51. Webb SP, Gordon MS (1998) J Chem Phys 109:919
52. Maurice R, Bastardis R, de Graaf C, Suaud N, Mallah T, Guihery N (2009) J Chem Theor Comp 5:2977
53. Maurice R, de Graaf C, Guihery NJ (2010) Chem Phys 133:084307
54. Cremades E, Ruiz E (2011) Inorg Chem 50:4016
55. Maurice R, Sivalingam K, Ganyushin D, Guihery N, de Graaf C, Neese F (2011) Inorg Chem 50:6229
56. Atanasov M, Ganyushin D, Pantazis DA, Sivalingam K, Neese F (2011) Inorg Chem 50:7460
57. Takeda R, Yamanaka S, Yamaguchi K (2005) Int J Quant Chem 102:80
58. Takeda R, Yamanaka S, Shoji M, Yamaguchi K (2007) Int J Quant Chem 107:1328
59. Maurice R, Pradipto AM, Guihery N, Broer R, de Graaf C (2010) J Chem Theor Comp 6:3092
60. Roos BO, Taylor PR, Siegbahn PEM (1980) Chem Phys 48:157
61. Andersson K, Malmqvist PÅ, Roos BO, Sadlej AJ, Wolinski K (1990) J Phys Chem 94:5483
62. Aquilante F, De Vico L, Ferre N, Ghigo G, Malmqvist PÅ, Neogrady P, Pedersen TB, Pitonak M, Reiher M, Roos BO, Serrano-Andres L, Urban M, Veryazov V, Lindh R (2010) J Comp Chem 31:224
63. Hess BA, Marian CM, Wahlgren U, Gropen O (1996) Chem Phys Lett 251:365
64. Malmqvist PÅ, Roos BO, Schimmelpfennig B (2002) Chem Phys Lett 357:2
65. Chibotaru LF, Hendrickx MFA, Clima S, Larionova J, Ceulemans A (2005) J Phys Chem A 109:7251
66. Bolvin H (2006) Chemphyschem 7:1575
67. Petit S, Pilet G, Luneau D, Chibotaru LF, Ungur L (2007) Dalton Trans 4582
68. Chibotaru LF, Ungur L, Aronica C, Elmoll H, Pilet G, Luneau D (2008) J Am Chem Soc 130:12445
69. Novitchi G, Wernsdorfer W, Chibotaru LF, Costes J-P, Anson CE, Powell AK (2009) Angew Chem Int Ed 48:1614
70. Cucinotta G, Perfetti M, Luzon J, Etienne M, Car PE, Caneschi A, Calvez G, Bernot K, Sessoli R (2012) Angew Chem Int Ed 51:1606
71. Aravena D, Ruiz E (2013) Inorg Chem 52:12777
72. Chibotaru LF, Ceulemans A, Bolvin H (2008) Phys Rev Lett 101:033003
73. Notter FP, Bolvin H (2009) J Chem Phys 130:184310
74. Ungur L, Chibotaru L (2014) Computational modeling of the magnetic properties of lanthanide compounds. In: Layfield RA, Murugesu M (eds) Lanthanides and actinides in molecular magnetism. Wiley
75. Boca R (2004) Coord Chem Rev 248:757
76. Griffith JS (1971) The theory of transition metal ions. Cambridge University Press, Cambridge
77. Bethe HA, Salpeter EE (1957) Quantum mechanics of one-and two-electron atoms. Springer, Berlin
78. McWeeny R (1992) Methods of molecular quantum mechanics. Academic, London
79. Neese F (2007) J Chem Phys 127:164112
80. Rogez G, Rebilly JN, Barra AL, Sorace L, Blondin G, Kirchner N, Duran M, van Slageren J, Parsons S, Ricard L, Marvilliers A, Mallah T (2005) Angew Chem Int Ed 44:1876
81. Stevens KWH (1952) Proc Phys Soc A 65:209
82. Reu OS, Palii AV, Ostrovsky SM, Tregenna-Piggott PL, Klokishner SI (2012) Inorg Chem 51:10955
83. Ungur L, Chibotaru LF (2014) Nat Comm, submitted
84. Le Roy JJ, Jeletic M, Gorelsky SI, Korobkov I, Ungur L, Chibotaru LF, MurugesuM(2013) J Am Chem Soc 135:3502
85. Liu J-L, Chen Y-C, Zheng Y-Z, Lin W-Q, Ungur L, Wernsdorfer W, Chibotaru LF, Tong M-L (2013) Chem Sci 4:3310
86. Ungur L, Chibotaru LF (2011) Phys Chem Chem Phys 13:20086
87. Blagg RJ, Ungur L, Tuna F, Speak J, Comar P, Collison D, Wernsdorfer W, McInnes EJL, Chibotaru LF, Winpenny REP (2013) Nat Chem 5:673
88. Ungur L, Le Roy JJ, Korobkov I, Murugesu M, Chibotaru LF (2014) Angew Chem Int Ed 53:4413
89. Ishikawa N, Sugita M, Wernsdorfer W (2005) Angew Chem Int Ed 44:2931
90. Rinehart JD, Long JR (2011) Chem Sci 2:2078
91. Meihaus KR, Long JR (2013) J Am Chem Soc 135:17952
92. Magnani N, Apostolidis C, Morgenstern A, Colineau E, Griveau J-C, Bolvin H, Walter O, Caciuffo R (2011) Angew Chem Int Ed 50:1696
93. King DM, Tuna F, McMaster J, Lewis W, Blake AJ, McInnes EJL, Liddle ST (2013) Angew Chem Int Ed 52:4921
94. Meihaus KR, Rinehart JD, Long JR (2011) Inorg Chem 50:8484
95. Moro F, Mills DP, Liddle ST, van Slageren J (2013) Angew Chem Int Ed 52:3430
96. Harman WH, Harris TD, Freedman DE, Fong H, Chang A, Rinehart JD, Ozarowski A, Sougrati MT, Grandjean F, Long GJ, Long JR, Chang CJ (2010) J Am Chem Soc 132:18115
97. Zadrozny JM, Xiao DJ, Atanasov M, Long GJ, Grandjean F, Neese F, Long JR (2013) Nat Chem 5:577
98. Dreiser J, Pedersen KS, Schnegg A, Holldack K, Nehrkorn J, Sigrist M, Tregenna-Piggott P, Mutka H, Weihe H, Mironov VS, Bendix J, Waldmann O (2013) Chem Eur J 19:3693
99. Qian K, Huang X-C, Zhou C, You X-Z, Wang X-Y, Dunbar KR (2013) J Am Chem Soc 135:13302
100. Barra AL, Debrunner P, Gatteschi D, Schulz CE, Seesoli R (1996) Europhys Lett 35:133
101. Gatteschi D, Sorace L (2001) J Solid State Chem 159:253
102. Ungur L, Thewissen M, Costes J-P, Wernsdorfer W, Chibotaru LF (2013) Inorg Chem 52:6328
103. Vieru V, Ungur L, Chibotaru LF (2014), unpublished
104. Anderson PW (1959) Phys Rev 115:1
105. Guo Y-N, Xu G-F, Wernsdorfer W, Ungur L, Guo Y, Tang J, Zhang H-J, Chibotaru LF, Powell AK (2011) J Am Chem Soc 133:11948
106. Langley SK, Wielechowski DP, Vieru V, Chilton NF, Moubaraki B, Abrahams BF, Chibotaru LF, Murray KS (2013) Angew Chem Int Ed 52:12014
107. Rinck J, Novitchi G, Van den Heuvel W, Ungur L, Lan Y, Wernsdorfer W, Anson CE, Chibotaru LF, Powell AK (2010) Angew Chem Int Ed 49:7583
108. Rinehart JD, Fang M, Evans WJ, Long JR (2011) Nat Chem 3:538
109. Rinehart JD, Fang M, Evans WJ, Long JR (2011) J Am Chem Soc 133:14236
110. Yamaguchi T, Costes J-P, Kishima Y, Kojima M, Sunatsuki Y, Bréfuel N, Tuchagues J-P, Vendier L, Wernsdorfer W (2010) Inorg Chem 49:9125
111. Pedersen KS, Ungur L, Sigrist M, Sundt A, Schau-Magnussen M, Vieru V, Mutka H, Rols S, Weihe H, Waldmann O, Chibotaru LF, Bendix J, Dreiser J (2014) Chem Sci 5:1650
112. Marx R, Moro F, Dö rfel M, Ungur L, Waters M, Jiang SD, Orlita M, Taylor J, Frey W, Chibotaru LF, van Slageren J (2014) Chem Sci 5:3287