SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 123, Issue 40, 2001, Pages 9822-9829

Minimum energy structure of hydridotris(pyrazolyl)borato iridium(V) tetrahydride is not a C3v capped octahedron

(7) Webster, C E a Singleton, D A a Szymanski, M J a Hall, M B a Zhao, C b Jia, G b Lin, Z b

a TEXAS A AND M UNIVERSITY (United States)

b HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

MINIMUM ENERGY STRUCTURES; OCTAHEDRAL STRUCTURES;

COMPUTER SIMULATION; HYDRIDES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SYNTHESIS (CHEMICAL);

IRIDIUM COMPOUNDS;

BORIC ACID; HYDRIDOTRIS(3,5 DIMETHYLPYRAZOL 1 YL)BORATO TETRAHYDRIDE; HYDRIDOTRIS(PYRAZOL 1 YL)BORATO TETRAHYDRIDE; HYDRIDOTRIS(PYRAZOLYL)BORATO IRIDIUM TETRAHYDRIDE; IRIDIUM; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; ENERGY; ENERGY TRANSFER; GEOMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SIMULATION; STRUCTURE ANALYSIS; SYNTHESIS;

BORATES; IRIDIUM; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; SPECTROPHOTOMETRY, INFRARED; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 0035840981 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja001233t Document Type: Article

Times cited : (22)

References (84)

1
- 0001559770
- (1994) Coord. Chem. Rev. , vol.135 , pp. 845-879
- Lin, Z.Y.¹ Hall, M.B.²

2
- 0029811198
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8916-8919
- Bayse, C.A.¹ Couty, M.² Hall, M.B.³

3
- 0000370329
- (1997) Organometallics , vol.16 , pp. 1179-1185
- Abugideiri, F.¹ Fettinger, J.C.² Pleune, B.³ Poll, R.⁴ Bayse, C.A.⁵ Hall, M.B.⁶

4
- 0000254694
- (1997) Inorg. Chim. Acta , vol.259 , pp. 179-184
- Bayse, C.A.¹ Hall, M.B.²

5
- 0000304348
- (1998) Organometallics , vol.17 , pp. 4309-4315
- Bayse, C.A.¹ Hall, M.B.² Pleune, B.³ Poli, R.⁴

6
- 0033576990
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1348-1358
- Bayse, C.A.¹ Hall, M.B.²

7
- 0000124143
- (2000) Chem. Rev. , vol.100 , pp. 601-636
- Maseras, F.¹ Lledos, A.² Clot, E.³ Eisenstein, O.⁴

8
- 0040005591
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 346-354
- Gutiérrez-Puebla, E.¹ Monge, A.² Paneque, M.³ Poveda, M.L.⁴ Taboada, S.⁵ Trujillo, M.⁶ Carmona, E.⁷

9
- 0000441246
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 4519-4520
- Paneque, M.¹ Poveda, M.L.² Taboada, S.³

10
- 0001365719
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 8071-8072
- Saunders, M.¹ Kates, M.R.²

11
- 0001410332
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 8072-8073
- Saunders, M.¹ Kates, M.R.² Wiberg, K.B.³ Pratt, W.⁴

12
- 33947094328
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 7726-7727
- Calvert, R.B.¹ Shapley, J.R.²

13
- 0003478296
- Crabtree, R. H., Ed.; John Wiley and Sons: New York
- (1994) The Organometallic Chemistry of the Transition Metals, 2nd ed. , pp. 256-258

14
- 0001498881
- (2000) J. Phys. Org. Chem. , vol.13 , pp. 752-756
- Perrin, C.L.¹ Kim, Y.J.²

15
- 0030460090
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 12134-12140
- Heinekey, D.M.¹ Van Roon, M.²

16
- 0029931669
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 6934-6945
- Kuhlman, R.¹ Streib, W.E.² Huffman, J.C.³ Caulton, K.G.⁴

17
- 0001654594
- (1983) Organometallics , vol.2 , pp. 1458-1460
- Gilbert, T.M.¹ Bergman, R.G.²

18
- 0001098243
- (1992) Organometallics , vol.11 , pp. 3801-3804
- Lin, Z.Y.¹ Hall, M.B.²

19
- 0001107980
- (1997) Organometallics , vol.16 , pp. 3805-3814
- Gelabert, R.¹ Moreno, M.² Lluch, J.M.³ Lledós, A.⁴

20
- 0033615278
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 8855-8863
- Clot, E.¹ Eckert, J.²

21
- 0001441117
- (1996) Inorg. Chem. , vol.35 , pp. 1292-1294
- Eckert, J.¹ Albinati, A.² Bucher, U.E.³ Venanzi, L.M.⁴

22
- 0003415202
- Unpublished results
- Webster, C.E.¹ Hall, M.B.²

23
- 11744305193
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8251-8260
- Wolinski, K.¹ Hinton, J.F.² Pulay, P.³

24
- 40749094858
- (1974) Mol. Phys. , vol.27 , pp. 789-807
- Ditchfield, R.¹

25
- 0030909214
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 3385-3386
- Singleton, D.A.¹ Merrigan, S.R.² Liu, J.³ Houk, K.N.⁴

26
- 0030690099
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 9907-9908
- DelMonte, A.J.¹ Haller, J.² Houk, K.N.³ Sharpless, K.B.⁴ Singleton, D.A.⁵ Strassner, T.⁶ Thomas, A.A.⁷

27
- 0033611940
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 3933-3938
- Keating, A.E.¹ Merrigan, S.R.² Singleton, D.A.³ Houk, K.N.⁴

28
- 0033486016
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 10865-10874
- Meyer, M.P.¹ DelMonte, A.J.² Singleton, D.A.³

29
- 0033596296
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 11885-11893
- Singleton, D.A.¹ Hang, C.²

30
- 0029917440
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 9984-9985
- Beno, B.R.¹ Houk, K.N.² Singleton, D.A.³

31
- 0035820024
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 2085-2086
- Law, J.K.¹ Mellows, H.² Heinekey, D.M.³

32
- 5644231461
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 11028-11036
- Oldham W.J., Jr.¹ Hinkle, A.S.² Heinekey, D.M.³

33
- 0001226539
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 3137-3138
- Heinekey, D.M.¹ Oldham W.J., Jr.²

34
- 36849137629
- (1947) J. Chem. Phys. , vol.15 , pp. 261-267
- Bigeleisen, J.¹ Mayer, M.G.²

35
- 0000032005
- (1972) Acc. Chem. Res. , vol.5 , pp. 225-233
- Wolfsberg, M.¹

36
- 0024841752
- (1989) J. Am. Chem. Soc. , vol.3 , pp. 8989-8994
- Saunders, M.¹ Laidig, K.E.² Wolfsberg, M.³

37
- 0011083273
- (1996) J. Phys. Chem. , vol.100 , pp. 16502-16513
- Scott, A.P.¹ Radom, L.²

38
- 0003415204
- note

39
- 0003406352
- note

40
- 0001333875
- (1998) Inorg. Chem. , vol.37 , pp. 127-132
- Luther, T.A.¹ Heinekey, D.M.²

41
- 0034623550
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 11017-11018
- Kanzelberger, M.¹ Singh, B.² Czerw, M.³ Krogh-Jespersen, K.⁴ Goldman, A.S.⁵

42
- 0033742720
- (2000) Organometallics , vol.19 , pp. 1670-1676
- Wiley, J.S.¹ Oldham W.J., Jr.² Heinekey, D.M.³

43
- 0001284204
- (1999) Inorg. Chem. , vol.38 , pp. 3223-3227
- McLoughlin, M.A.¹ Keder, N.L.² Harrison, W.T.A.³ Flesher, R.J.⁴ Mayer, H.A.⁵ Kaska, W.C.⁶

44
- 0000248555
- (1999) Organometallics , vol.18 , pp. 2198-2205
- Sjövall, S.¹ Johansson, M.² Andersson, C.³

45
- 0003339323
- (1998) New J. Chem. , pp. 307-309
- Cooper, A.C.¹ Eisenstein, O.² Caulton, K.G.³

46
- 0001394070
- (1997) Organometallics , vol.16 , pp. 1974-1978
- Cooper, A.C.¹ Huffman, J.C.² Caulton, K.G.³

47
- 0001396497
- (1997) Organometallics , vol.16 , pp. 3531-3535
- Lindner, E.¹ Gierling, K.² Keppeler, B.³ Mayer, H.A.⁴

48
- 0029895469
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 5353-5361
- Heinekey, D.M.¹ Hinkle, A.S.² Close, J.D.³

49
- 0001182683
- (1996) Inorg. Chem. , vol.35 , pp. 3001-3006
- Park, S.¹ Lough, A.J.² Morris, R.H.³

50
- 0003485714
- note

51
- 0003409465
- note

52
- 0029895469
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 5353-5361
- Heinekey, D.M.¹ Hinkle, A.S.² Close, J.D.³

53
- 0001333743
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4876-4887
- Bautista, M.T.¹ Cappellani, E.P.² Drouin, S.D.³ Morris, R.H.⁴ Schweitzer, C.T.⁵ Sella, A.⁶ Zubkowski, J.⁷

54
- 0025264345
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 909-919
- Heinekey, D.M.¹ Millar, J.M.² Koetzle, T.F.³ Payne, N.G.⁴ Zilm, K.W.⁵

55
- 0040668403
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 5166-5175
- Chinn, M.S.¹ Heinekey, D.M.²

56
- 0003409467
- note

57
- 33845279627
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 4126-4133
- Hamilton, D.G.¹ Crabtree, R.H.²

58
- 0003352361
- note

59
- 33845278685
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 7031-7036
- Bautista, M.T.¹ Earl, K.A.² Maltby, P.A.³ Morris, R.H.⁴ Schweitzer, C.T.⁵ Sella, A.⁶

60
- 0033741739
- (2000) Organometallics , vol.19 , pp. 1652-1660
- Abdur-Rashid, K.¹ Gusev, D.G.² Lough, A.J.³ Morris, R.H.⁴

61
- 0029904366
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 5396-5407
- Maltby, P.A.¹ Schlaf, M.² Steinbeck, M.³ Lough, A.J.⁴ Morris, R.H.⁵ Klooster, W.T.⁶ Koetzle, T.F.⁷ Srivastava, R.C.⁸

62
- 0001094109
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 3027-3039
- Earl, K.A.¹ Jia, G.C.² Maltby, P.A.³ Morris, R.H.⁴

63
- 0034821096
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 4826-4833
- Ruud, K.¹ Åstrand, P.-O.² Taylor, P.R.³

64
- 0003406354
- note

65
- 33845183383
- (1989) Inorg. Chem. , vol.28 , pp. 3198-3203
- Hamilton, D.G.¹ Luo, X.-L.² Crabtree, R.H.³

66
- 0003349343
- note

67
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.D.¹

68
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785-789
- Lee, C.¹ Yang, W.² Parr, R.G.³

69
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
- Becke, A.D.¹

70
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
- Perdew, J.P.¹

71
- 4043083704
- (1986) Phys. Rev. B. , vol.34 , pp. 7406

72
- 0003569570
- Oxford University Press: New York
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

74
- 6944251055
- (1934) Phys. Rev. , vol.46 , pp. 618-622
- Moller, C.¹ Plesset, M.C.²

75
- 0000122016
- (1982) J. Chem. Phys. , vol.76 , pp. 1910-1918
- Purvis, G.D.¹ Bartlett, R.J.²

76
- 33745770836
- (1985) J. Chem. Phys. , vol.82 , pp. 270-283
- Hay, P.J.¹ Wadt, W.R.²

77
- 0006073669
- (1985) J. Chem. Phys. , vol.82 , pp. 284-298
- Wadt, W.R.¹ Hay, P.J.²

78
- 0345566667
- (1996) J. Comput. Chem. , vol.17 , pp. 1359-1370
- Couty, M.¹ Hall, M.B.²

79
- 43949164303
- (1993) Chem. Phys. Lett. , vol.208 , pp. 111-114
- Ehlers, A.W.¹ Böhme, M.² Dapprich, S.³ Gobbi, A.⁴ Höllwarth, A.⁵ Jonas, V.⁶ Köhler, K.F.⁷ Stegmann, R.⁸ Veldkamp, A.⁹ Frenking, G.¹⁰

80
- 43949164796
- (1993) Chem. Phys. Lett. , vol.208 , pp. 237-240
- Höllwarth, A.¹ Böhme, M.² Dapprich, S.³ Ehlers, A.W.⁴ Gobbi, A.⁵ Jonas, V.⁶ Köhler, K.F.⁷ Stegmann, R.⁸ Veldkamp, A.⁹ Frenking, G.¹⁰

81
- 4244064972
- (1994) Chem. Phys. Lett. , vol.224 , pp. 603

82
- 0001869943
- Schaefer, H. F., III, Ed. Plenum: New York
- (1976) Modern Theoretical Chemistry , pp. 1-28
- Dunning, T.H.¹ Hay, P.J.²

83
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
- Dunning, T.H.¹

84
- 0034620699
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2101-2115
- Jordon, M.J.T.¹ Del Bene, J.E.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.