SCOPUS 정보 검색 플랫폼

Volumn 44, Issue 6, 2015, Pages 2657-2666

The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation-a theoretical approach

(3) Narbutt, Jerzy a Wodyński, Artur a,b Pecul, Magdalena b

a INSTITUTE OF NUCLEAR CHEMISTRY AND TECHNOLOGY (Poland)

b UNIVERSITY OF WARSAW (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHARGE TRANSFER; CHEMICAL BONDS; EUROPIUM; FREE ENERGY; GIBBS FREE ENERGY; HAMILTONIANS; LIGANDS; MOLECULAR ORBITALS; MOLECULES; QUANTUM THEORY; SOLVENT EXTRACTION;

EXTRACTION SEPARATION; GIBBS FREE ENERGY OF FORMATION; LOCALIZATION PROCEDURE; MULLIKEN POPULATION ANALYSIS; QUANTUM THEORY OF ATOMS IN MOLECULES; THEORETICAL APPROACH; THEORETICAL CALCULATIONS; TOPOLOGICAL PARAMETERS;

DENSITY FUNCTIONAL THEORY;

EID: 84922196370 PISSN: 14779226 EISSN: 14779234 Source Type: Journal
DOI: 10.1039/c4dt02657h Document Type: Article

Times cited : (90)

References (65)

1
- 78649499326
- M. Salvatores G. Palmiotti Prog. Part. Nucl. Phys. 2011 66 144
- (2011) Prog. Part. Nucl. Phys. , vol.66 , pp. 144
- Salvatores, M.¹ Palmiotti, G.²

2
- 54849413968
- Z. Kolarik Chem. Rev. 2008 108 4208
- (2008) Chem. Rev. , vol.108 , pp. 4208
- Kolarik, Z.¹

3
- 78649491548
- ed. B. A. Moyer, CRC Press
- C. Hill, in Ion Exchange and Solvent Extraction: A Series of Advances, ed., B. A. Moyer, CRC Press, 2010, vol. 19, p. 119
- (2010) Ion Exchange and Solvent Extraction: A Series of Advances , vol.19 , pp. 119
- Hill, C.¹

4
- 84874508507
- P. Panak A. Geist Chem. Rev. 2013 113 1199
- (2013) Chem. Rev. , vol.113 , pp. 1199
- Panak, P.¹ Geist, A.²

5
- 84874551254
- M. J. Hudson L. M. Harwood D. M. Laventine F. W. Lewis Inorg. Chem. 2013 52 3414
- (2013) Inorg. Chem. , vol.52 , pp. 3414
- Hudson, M.J.¹ Harwood, L.M.² Laventine, D.M.³ Lewis, F.W.⁴

6
- 84860888736
- J.-H. Lan W.-Q. Shi L.-Y. Yuan J. Li Y.-L. Zhao Z.-F. Chai Coord. Chem. Rev. 2012 256 1406
- (2012) Coord. Chem. Rev. , vol.256 , pp. 1406
- Lan, J.-H.¹ Shi, W.-Q.² Yuan, L.-Y.³ Li, J.⁴ Zhao, Y.-L.⁵ Chai, Z.-F.⁶

7
- 84872738048
- L. E. Roy N. J. Bridges L. R. Martin Dalton Trans. 2013 42 2636
- (2013) Dalton Trans. , vol.42 , pp. 2636
- Roy, L.E.¹ Bridges, N.J.² Martin, L.R.³

8
- 84873166646
- J. Narbutt W. P. Oziminski Dalton Trans. 2012 41 14416
- (2012) Dalton Trans. , vol.41 , pp. 14416
- Narbutt, J.¹ Oziminski, W.P.²

9
- 84922176088
- to be submitted
- J. Narbutt A. Wodyński M. Pecul Dalton Trans.
- Dalton Trans.
- Narbutt, J.¹ Wodyński, A.² Pecul, M.³

10
- 0035087621
- Y. Sasaki Y. Sugo S. Suzuki S. Tachimori Solvent Extr. Ion Exch. 2001 19 91
- (2001) Solvent Extr. Ion Exch. , vol.19 , pp. 91
- Sasaki, Y.¹ Sugo, Y.² Suzuki, S.³ Tachimori, S.⁴

11
- 80053295441
- J.-H. Lan W.-Q. Shi L.-Y. Yuan Y.-L. Zhao J. Li Z.-F. Chai Inorg. Chem. 2011 50 9230
- (2011) Inorg. Chem. , vol.50 , pp. 9230
- Lan, J.-H.¹ Shi, W.-Q.² Yuan, L.-Y.³ Zhao, Y.-L.⁴ Li, J.⁵ Chai, Z.-F.⁶

12
- 0000189651
- A. D. Becke J. Chem. Phys. 1993 98 5648
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

13
- 33751157732
- P. J. Stephens F. J. Devlin C. F. Chabalowski M. J. Frisch J. Phys. Chem. B 1994 98 11623
- (1994) J. Phys. Chem. B , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

14
- 79952130294
- Gaussian, Inc., Wallingford CT
- Gaussian 09, Revision B.01, Gaussian, Inc., Wallingford CT, 2009
- (2009) Gaussian 09, Revision B.01

15
- 36449007808
- W. Kuchle M. Dolg H. Stoll H. Preuss J. Chem. Phys. 1994 100 7535
- (1994) J. Chem. Phys. , vol.100 , pp. 7535
- Kuchle, W.¹ Dolg, M.² Stoll, H.³ Preuss, H.⁴

16
- 36549093888
- M. Dolg H. Stoll H. Preuss J. Chem. Phys. 1989 90 1730
- (1989) J. Chem. Phys. , vol.90 , pp. 1730
- Dolg, M.¹ Stoll, H.² Preuss, H.³

17
- 26844534384
- R. Krishnan J. S. Binkley R. Seeger J. A. Pople J. Chem. Phys. 1980 72 650
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

18
- 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

19
- 84922203940
- SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
- ADF2010, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com
- ADF2010

20
- 0037880444
- E. van Lenthe E. J. Baerends J. G. Snijders J. Chem. Phys. 1993 99 4597
- (1993) J. Chem. Phys. , vol.99 , pp. 4597
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

21
- 2942550208
- E. van Lenthe E. J. Baerends J. G. Snijders J. Chem. Phys. 1994 101 9783
- (1994) J. Chem. Phys. , vol.101 , pp. 9783
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

22
- 0000458921
- E. van Lenthe A. E. Ehlers E. J. Baerends J. Chem. Phys. 1999 110 8943
- (1999) J. Chem. Phys. , vol.110 , pp. 8943
- Van Lenthe, E.¹ Ehlers, A.E.² Baerends, E.J.³

23
- 0033465061
- C. C. Pye T. Ziegler Theor. Chem. Acc. 1999 101 396
- (1999) Theor. Chem. Acc. , vol.101 , pp. 396
- Pye, C.C.¹ Ziegler, T.²

24
- 84961980743
- A. Klamt G. Schüürmann J. Chem. Soc., Perkin Trans. 2 1993 799
- (1993) J. Chem. Soc., Perkin Trans. 2 , pp. 799
- Klamt, A.¹ Schüürmann, G.²

25
- 33751157086
- A. Klamt J. Phys. Chem. 1995 99 2224
- (1995) J. Phys. Chem. , vol.99 , pp. 2224
- Klamt, A.¹

26
- 0030575967
- A. Klam V. Jonas J. Chem. Phys. 1996 105 9972
- (1996) J. Chem. Phys. , vol.105 , pp. 9972
- Klam, A.¹ Jonas, V.²

27
- 11644266970
- 2346
- R. S. Mulliken J. Chem. Phys. 1955 23 1833
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

28
- 0003915529
- University of Wisconsin, Madison
- E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales and F. Weinhold, NBO 5.0, University of Wisconsin, Madison, 2001
- (2001) NBO 5.0
- Glendening, E.D.¹ Badenhoop, J.K.² Reed, A.E.³ Carpenter, J.E.⁴ Bohmann, J.A.⁵ Morales, C.M.⁶ Weinhold, F.⁷

29
- 65949105091
- J. I. Rodríguez A. M. Köster P. W. Ayers A. Santos-Valle A. Vela G. Merino J. Comput. Chem. 2009 30 1082
- (2009) J. Comput. Chem. , vol.30 , pp. 1082
- Rodríguez, J.I.¹ Köster, A.M.² Ayers, P.W.³ Santos-Valle, A.⁴ Vela, A.⁵ Merino, G.⁶

30
- 62949165686
- J. I. Rodríguez R. F. W. Bader P. W. Ayers C. Michel A. W. Götz C. Bo Chem. Phys. Lett. 2009 472 149
- (2009) Chem. Phys. Lett. , vol.472 , pp. 149
- Rodríguez, J.I.¹ Bader, R.F.W.² Ayers, P.W.³ Michel, C.⁴ Götz, A.W.⁵ Bo, C.⁶

31
- 70349876386
- W. Strzelczyk P. Sobieszczyk M. Palusiak Struct. Chem. 2009 20 919
- (2009) Struct. Chem. , vol.20 , pp. 919
- Strzelczyk, W.¹ Sobieszczyk, P.² Palusiak, M.³

32
- 33745432843
- S. A. Ansari P. N. Pathak M. Husain A. K. Prasad V. S. Parmar V. K. Manchanda Radiochim. Acta 2006 94 307
- (2006) Radiochim. Acta , vol.94 , pp. 307
- Ansari, S.A.¹ Pathak, P.N.² Husain, M.³ Prasad, A.K.⁴ Parmar, V.S.⁵ Manchanda, V.K.⁶

33
- 33847688865
- Y. Sasaki P. Rapold M. Arisaka M. Hirata T. Kimura C. Hill G. Cote Solvent Extr. Ion Exch. 2007 259 187
- (2007) Solvent Extr. Ion Exch. , vol.259 , pp. 187
- Sasaki, Y.¹ Rapold, P.² Arisaka, M.³ Hirata, M.⁴ Kimura, T.⁵ Hill, C.⁶ Cote, G.⁷

34
- 79551699519
- M. Arisaka T. Kimura Solvent Extr. Ion Exch. 2011 29 72
- (2011) Solvent Extr. Ion Exch. , vol.29 , pp. 72
- Arisaka, M.¹ Kimura, T.²

35
- 84901270348
- C.-Z. Wang J.-H. Lan Q.-Y. Wu Y.-L. Zhao X.-K. Wang Z.-F. Chai W.-Q. Shi Dalton Trans. 2014 43 8713
- (2014) Dalton Trans. , vol.43 , pp. 8713
- Wang, C.-Z.¹ Lan, J.-H.² Wu, Q.-Y.³ Zhao, Y.-L.⁴ Wang, X.-K.⁵ Chai, Z.-F.⁶ Shi, W.-Q.⁷

36
- 67349210745
- P. N. Pathak S. A. Ansari S. V. Godbole A. R. Dhobale V. K. Manchanda Spectrochim. Acta, Part A 2009 73 348
- (2009) Spectrochim. Acta, Part A , vol.73 , pp. 348
- Pathak, P.N.¹ Ansari, S.A.² Godbole, S.V.³ Dhobale, A.R.⁴ Manchanda, V.K.⁵

37
- 4344566421
- D. Guillaumont J. Phys. Chem. A 2004 108 6893
- (2004) J. Phys. Chem. A , vol.108 , pp. 6893
- Guillaumont, D.¹

38
- 33750426210
- L. Petit C. Adamo P. Maldivi Inorg. Chem. 2006 45 8517
- (2006) Inorg. Chem. , vol.45 , pp. 8517
- Petit, L.¹ Adamo, C.² Maldivi, P.³

39
- 79551632044
- G. Benay R. Schurhammer G. Wipff Phys. Chem. Chem. Phys. 2011 13 2922
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 2922
- Benay, G.¹ Schurhammer, R.² Wipff, G.³

40
- 33644804076
- V. Vallet P. Macak U. Wahlgren I. Grenthe Theor. Chem. Acc. 2006 115 145
- (2006) Theor. Chem. Acc. , vol.115 , pp. 145
- Vallet, V.¹ Macak, P.² Wahlgren, U.³ Grenthe, I.⁴

41
- 84884230614
- P. D'Angelo F. Martelli R. Spezia A. Filipponi M. A. Denecke Inorg. Chem. 2013 52 10318
- (2013) Inorg. Chem. , vol.52 , pp. 10318
- D'Angelo, P.¹ Martelli, F.² Spezia, R.³ Filipponi, A.⁴ Denecke, M.A.⁵

42
- 77952124281
- D. Lundberg I. Persson L. Eriksson P. D'Angelo S. De Panfilis Inorg. Chem. 2010 49 4420
- (2010) Inorg. Chem. , vol.49 , pp. 4420
- Lundberg, D.¹ Persson, I.² Eriksson, L.³ D'Angelo, P.⁴ De Panfilis, S.⁵

43
- 46749116087
- S. Kannan M. A. Moody C. L. Barnes P. B. Duval Inorg. Chem. 2008 47 4691
- (2008) Inorg. Chem. , vol.47 , pp. 4691
- Kannan, S.¹ Moody, M.A.² Barnes, C.L.³ Duval, P.B.⁴

44
- 0344171381
- J. Narbutt J. Inorg. Nucl. Chem. 1981 43 3343
- (1981) J. Inorg. Nucl. Chem. , vol.43 , pp. 3343
- Narbutt, J.¹

45
- 84885126621
- C.-Z. Wang W.-Q. Shi J.-H. Lan Y.-L. Zhao Y.-Z. Wei Z.-F. Chai Inorg. Chem. 2013 52 10904
- (2013) Inorg. Chem. , vol.52 , pp. 10904
- Wang, C.-Z.¹ Shi, W.-Q.² Lan, J.-H.³ Zhao, Y.-L.⁴ Wei, Y.-Z.⁵ Chai, Z.-F.⁶

46
- 29144461931
- K. Matloka A. Gelis M. Regalbuto G. Vandegrift M. J. Scott Dalton Trans. 2005 3719
- (2005) Dalton Trans. , pp. 3719
- Matloka, K.¹ Gelis, A.² Regalbuto, M.³ Vandegrift, G.⁴ Scott, M.J.⁵

47
- 34250868274
- Y. Kataoka D. Paul H. Miyake S. Shinoda H. Tsukube Dalton Trans. 2007 2784
- (2007) Dalton Trans. , pp. 2784
- Kataoka, Y.¹ Paul, D.² Miyake, H.³ Shinoda, S.⁴ Tsukube, H.⁵

48
- 79955155398
- T. Kobayashi T. Yaita S. Suzuki H. Shiwaku Y. Okamoto K. Akutsu Y. Nakano Y. Fujii Sep. Sci. Technol. 2010 45 2431
- (2010) Sep. Sci. Technol. , vol.45 , pp. 2431
- Kobayashi, T.¹ Yaita, T.² Suzuki, S.³ Shiwaku, H.⁴ Okamoto, Y.⁵ Akutsu, K.⁶ Nakano, Y.⁷ Fujii, Y.⁸

49
- 77956323912
- M. Heitzmann C. Gateau L. Chareyre M. Miguirditchian M.-C. Charbonnel P. Delangle New J. Chem. 2010 34 108
- (2010) New J. Chem. , vol.34 , pp. 108
- Heitzmann, M.¹ Gateau, C.² Chareyre, L.³ Miguirditchian, M.⁴ Charbonnel, M.-C.⁵ Delangle, P.⁶

50
- 79960225043
- C. Marie M. Miguirditchian D. Guillaumont A. Tosseng C. Berthon P. Guilbaud M. Duvail J. Bisson D. Guillaneux M. Pipelier D. Dubreuil Inorg. Chem. 2011 50 6557
- (2011) Inorg. Chem. , vol.50 , pp. 6557
- Marie, C.¹ Miguirditchian, M.² Guillaumont, D.³ Tosseng, A.⁴ Berthon, C.⁵ Guilbaud, P.⁶ Duvail, M.⁷ Bisson, J.⁸ Guillaneux, D.⁹ Pipelier, M.¹⁰ Dubreuil, D.¹¹

51
- 84864220250
- D. Manna T. K. Ghanty Phys. Chem. Chem. Phys. 2012 14 11060
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 11060
- Manna, D.¹ Ghanty, T.K.²

52
- 84880944781
- Y. Sasaki Y. Tsubata Y. Kitatsuji Y. Sugo N. Shirasu Y. Morita T. Kimura Solvent Extr. Ion Exch. 2013 31 401
- (2013) Solvent Extr. Ion Exch. , vol.31 , pp. 401
- Sasaki, Y.¹ Tsubata, Y.² Kitatsuji, Y.³ Sugo, Y.⁴ Shirasu, N.⁵ Morita, Y.⁶ Kimura, T.⁷

53
- 84888260180
- M. Galletta S. Scaravaggi E. Macerata A. Famulari A. Mele W. Panzeri F. Sansone A. Casnati M. Mariani Dalton Trans. 2013 42 16930
- (2013) Dalton Trans. , vol.42 , pp. 16930
- Galletta, M.¹ Scaravaggi, S.² Macerata, E.³ Famulari, A.⁴ Mele, A.⁵ Panzeri, W.⁶ Sansone, F.⁷ Casnati, A.⁸ Mariani, M.⁹

54
- 84902820216
- Yu. A. Ustynyuk I. P. Gloriozov S. N. Kalmykov A. A. Mitrofanov V. A. Babain M. Yu. Alyapyshev N. A. Ustynyuk Solvent Extr. Ion Exch. 2014 32 508
- (2014) Solvent Extr. Ion Exch. , vol.32 , pp. 508
- Ustynyuk, Yu.A.¹ Gloriozov, I.P.² Kalmykov, S.N.³ Mitrofanov, A.A.⁴ Babain, V.A.⁵ Alyapyshev, M.Yu.⁶ Ustynyuk, N.A.⁷

55
- 84893233126
- C.-L. Xiao C.-Z. Wang L.-Y. Yuan B. Li H. He S. Wang Y.-L. Zhao Z.-F. Chai W.-Q. Shi Inorg. Chem. 2014 54 1712
- (2014) Inorg. Chem. , vol.54 , pp. 1712
- Xiao, C.-L.¹ Wang, C.-Z.² Yuan, L.-Y.³ Li, B.⁴ He, H.⁵ Wang, S.⁶ Zhao, Y.-L.⁷ Chai, Z.-F.⁸ Shi, W.-Q.⁹

56
- 77949382969
- M. Torrent-Sucarrat F. De Proft P. W. Ayers P. Geerlings Phys. Chem. Chem. Phys. 2010 12 1072
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 1072
- Torrent-Sucarrat, M.¹ De Proft, F.² Ayers, P.W.³ Geerlings, P.⁴

57
- 0347291894
- TEDGA value is close to that reported in the literature 28 for TODGA in solution
- R. G. Parr R. G. Pearson J. Am. Chem. Soc. 1983 105 7512
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

58
- 84867578808
- John Wiley & Sons, Inc., p
- F. Weinhold and C. R. Landis, Discovering Chemistry with Natural Bond Orbitals, John Wiley & Sons, Inc., 2012, p. 96
- (2012) Discovering Chemistry with Natural Bond Orbitals , pp. 96
- Weinhold, F.¹ Landis, C.R.²

59
- 84870388258
- M. L. Neidig D. L. Clark R. L. Martin Coord. Chem. Rev. 2013 257 394
- (2013) Coord. Chem. Rev. , vol.257 , pp. 394
- Neidig, M.L.¹ Clark, D.L.² Martin, R.L.³

60
- 84875783302
- A. E. V. Gorden M. A. DeVore II B. A. Maynard Inorg. Chem. 2013 52 3445
- (2013) Inorg. Chem. , vol.52 , pp. 3445
- Gorden, A.E.V.¹ Devore, I.I.M.A.² Maynard, B.A.³

61
- 84884224898
- C. Adam P. Kaden B. B. Beele U. Müllich S. Trumm A. Geist P. Panak M. A. Denecke Dalton Trans. 2013 42 14068
- (2013) Dalton Trans. , vol.42 , pp. 14068
- Adam, C.¹ Kaden, P.² Beele, B.B.³ Müllich, U.⁴ Trumm, S.⁵ Geist, A.⁶ Panak, P.⁷ Denecke, M.A.⁸

62
- 84873106037
- M. J. Tassel N. Kaltsoyannis Dalton Trans. 2011 40 6719
- (2011) Dalton Trans. , vol.40 , pp. 6719
- Tassel, M.J.¹ Kaltsoyannis, N.²

63
- 84866492569
- N. Kaltsoyannis Inorg. Chem. 2013 52 3407
- (2013) Inorg. Chem. , vol.52 , pp. 3407
- Kaltsoyannis, N.¹

64
- 84883505431
- A. R. E. Mountain N. Kaltsoyannis Dalton Trans. 2013 42 13477
- (2013) Dalton Trans. , vol.42 , pp. 13477
- Mountain, A.R.E.¹ Kaltsoyannis, N.²

65
- 84922185265
- Q.-R. Huang J. R. Kingham N. Kaltsoyannis Dalton Trans. 2015 10.1039/C4DT02323D
- (2015) Dalton Trans.
- Huang, Q.-R.¹ Kingham, J.R.² Kaltsoyannis, N.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.