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Chemistry - A European Journal

Volumn 6, Issue 8, 2000, Pages 1395-1406

Spin-spin coupling tensors in fluoromethanes

(4) Lantto, Perttu a Kaski, Jaakko a,b Vaara, Juha a,c Jokisaari, Jukka a

a UNIVERSITY OF OULU (Finland)

b OULU UNIVERSITY OF APPLIED SCIENCES (Finland)

c UNIVERSITY OF HELSINKI (Finland)

Author keywords

Ab initio calculations; Fluoromethanes; Liquid crystals; NMR spectroscopy; Spin spin couplings

Indexed keywords

DIFLUOROMETHANE; FLUOROFORM; FLUOROMETHANE; UNCLASSIFIED DRUG;

ANISOTROPY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; LIQUID CRYSTAL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ROTATION; VIBRATION;

EID: 0034646771 PISSN: 09476539 EISSN: None Source Type: Journal
DOI: 10.1002/(SICI)1521-3765(20000417)6:8<1395::AID-CHEM1395>3.0.CO;2-K Document Type: Article

Times cited : (25)

References (55)

1
- 0003214625
- J. Lounila, J. Jokisaari, Progr. NMR Spectrosc. 1982, 15, 249.
- (1982) Progr. NMR Spectrosc. , vol.15 , pp. 249
- Lounila, J.¹ Jokisaari, J.²

2
- 0001537485
- D. Sandström, K. T. Summanen, M. H. Levitt, J. Am. Chem. Soc. 1994, 116, 9357.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 9357
- Sandström, D.¹ Summanen, K.T.² Levitt, M.H.³

3
- 0029788668
- J. Kaski, J. Vaara, J. Jokisaari, J. Am. Chem. Soc. 1996, 118, 8879.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8879
- Kaski, J.¹ Vaara, J.² Jokisaari, J.³

4
- 0032577047
- J. Kaski, P. Lantto, J. Vaara, J. Jokisaari, J. Am. Chem. Soc. 1998, 120, 3993.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 3993
- Kaski, J.¹ Lantto, P.² Vaara, J.³ Jokisaari, J.⁴

5
- 0000656739
- J. Vaara, J. Kaski, J. Jokisaari, J. Phys. Chem. A 1999, 103, 5675.
- (1999) J. Phys. Chem. A , vol.103 , pp. 5675
- Vaara, J.¹ Kaski, J.² Jokisaari, J.³

6
- 0642344278
- K. W. Zilm, D. M. Grant, J. Am. Chem. Soc. 1981, 103, 2913.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 2913
- Zilm, K.W.¹ Grant, D.M.²

7
- 0001472316
- M. L. Magnuson, L. F. Tanner, B. M. Fung, Liq. Crystals 1994, 16, 857.
- (1994) Liq. Crystals , vol.16 , pp. 857
- Magnuson, M.L.¹ Tanner, L.F.² Fung, B.M.³

8
- 0000701068
- M. L. Magnuson, B. M. Fung, M. Schadt, Liq. Crystals 1995, 19, 333.
- (1995) Liq. Crystals , vol.19 , pp. 333
- Magnuson, M.L.¹ Fung, B.M.² Schadt, M.³

9
- 6744256959
- T. R. Krugh, R. A. Bernheim, J. Am. Chem. Soc. 1969, 91, 2385; T. R. Krugh, R. A. Bernheim, J. Chem. Phys. 1970, 52, 4942.
- (1969) J. Am. Chem. Soc. , vol.91 , pp. 2385
- Krugh, T.R.¹ Bernheim, R.A.²

10
- 6744248141
- T. R. Krugh, R. A. Bernheim, J. Am. Chem. Soc. 1969, 91, 2385; T. R. Krugh, R. A. Bernheim, J. Chem. Phys. 1970, 52, 4942.
- (1970) J. Chem. Phys. , vol.52 , pp. 4942
- Krugh, T.R.¹ Bernheim, R.A.²

11
- 0000502894
- J. Jokisaari, Y. Hiltunen, J. Lounila, J. Chem. Phys. 1986, 85, 3198.
- (1986) J. Chem. Phys. , vol.85 , pp. 3198
- Jokisaari, J.¹ Hiltunen, Y.² Lounila, J.³

12
- 0008316823
- J. B. S. Barnhoorn, C. A. de Lange, Mol. Phys. 1996, 88, 1.
- (1996) Mol. Phys. , vol.88 , pp. 1
- Barnhoorn, J.B.S.¹ De Lange, C.A.²

13
- 49249147782
- S. Sýkora, J. Vogt, H. Bösiger, P. Diehl, J. Magn. Reson. 1979, 36, 53.
- (1979) J. Magn. Reson. , vol.36 , pp. 53
- Sýkora, S.¹ Vogt, J.² Bösiger, H.³ Diehl, P.⁴

14
- 0002395349
- J. Lounila, R. Wasser, P. Diehl, Mol. Phys. 1987, 62, 19.
- (1987) Mol. Phys. , vol.62 , pp. 19
- Lounila, J.¹ Wasser, R.² Diehl, P.³

15
- 0001666362
- J. Lounila, P. Diehl, J. Magn. Reson. 1984, 56, 254; J. Lounila, P. Diehl, Mol. Phys. 1984, 52, 827; J. Lounila, Mol. Phys. 1986, 58, 897.
- (1984) J. Magn. Reson. , vol.56 , pp. 254
- Lounila, J.¹ Diehl, P.²

16
- 33646178907
- J. Lounila, P. Diehl, J. Magn. Reson. 1984, 56, 254; J. Lounila, P. Diehl, Mol. Phys. 1984, 52, 827; J. Lounila, Mol. Phys. 1986, 58, 897.
- (1984) Mol. Phys. , vol.52 , pp. 827
- Lounila, J.¹ Diehl, P.²

17
- 0000515582
- J. Lounila, P. Diehl, J. Magn. Reson. 1984, 56, 254; J. Lounila, P. Diehl, Mol. Phys. 1984, 52, 827; J. Lounila, Mol. Phys. 1986, 58, 897.
- (1986) Mol. Phys. , vol.58 , pp. 897
- Lounila, J.¹

18
- 0000967920
- Anisotropy of shielding & coupling in liquid crystalline solutions
- (Eds.: D. Grant, R. Harris), Wiley, Chichester
- J. Jokisaari, "Anisotropy of shielding & coupling in liquid crystalline solutions" in Encyclopedia of Nuclear Magnetic Resonance, Vol. 2 (Eds.: D. Grant, R. Harris), Wiley, Chichester, 1996, pp. 839-848.
- (1996) Encyclopedia of Nuclear Magnetic Resonance , vol.2 , pp. 839-848
- Jokisaari, J.¹

19
- 0010900191
- H. Nakatsuji, H. Kato, I. Morishima, T. Yonezawa, Chem. Phys. Lett. 1970, 4, 607.
- (1970) Chem. Phys. Lett. , vol.4 , pp. 607
- Nakatsuji, H.¹ Kato, H.² Morishima, I.³ Yonezawa, T.⁴

20
- 4243432057
- H. Nakatsuji, K. Hirao, H. Kato, T. Yonezawa, Chem. Phys. Lett. 1970, 5, 541.
- (1970) Chem. Phys. Lett. , vol.5 , pp. 541
- Nakatsuji, H.¹ Hirao, K.² Kato, H.³ Yonezawa, T.⁴

21
- 0005623304
- H. Nakatsuji, I. Morishima, H. Kato, T. Yonezawa, Bull. Chem. Soc. Jpn. 1971, 44, 2010.
- (1971) Bull. Chem. Soc. Jpn. , vol.44 , pp. 2010
- Nakatsuji, H.¹ Morishima, I.² Kato, H.³ Yonezawa, T.⁴

22
- 0010893013
- R. Ditchfield, L. C. Snyder, J. Chem. Phys. 1972, 56, 5823.
- (1972) J. Chem. Phys. , vol.56 , pp. 5823
- Ditchfield, R.¹ Snyder, L.C.²

23
- 0001010310
- O. L. Malkina, D. R. Salahub, V. G. Malkin, J. Chem. Phys. 1996, 105, 8793.
- (1996) J. Chem. Phys. , vol.105 , pp. 8793
- Malkina, O.L.¹ Salahub, D.R.² Malkin, V.G.³

24
- 0000369356
- R. M. Dickson, T. Ziegler, J. Phys. Chem. 1996, 100, 5286.
- (1996) J. Phys. Chem. , vol.100 , pp. 5286
- Dickson, R.M.¹ Ziegler, T.²

25
- 0001741543
- S. A. Perera, M. Nooijen, R. J. Bartlett, J. Chem. Phys. 1996, 104, 3290.
- (1996) J. Chem. Phys. , vol.104 , pp. 3290
- Perera, S.A.¹ Nooijen, M.² Bartlett, R.J.³

26
- 0031557299
- M. Nooijen, S. A. Perera, R. J. Bartlett, Chem. Phys. Lett. 1997, 266, 456.
- (1997) Chem. Phys. Lett. , vol.266 , pp. 456
- Nooijen, M.¹ Perera, S.A.² Bartlett, R.J.³

27
- 0001185992
- O. Vahtras, H. Ågren, P. Jørgensen, H. J. Aa, Jensen, S. B. Padkjær, T. Helgaker, J. Chem. Phys. 1992, 96, 6120.
- (1992) J. Chem. Phys. , vol.96 , pp. 6120
- Vahtras, O.¹ Ågren, H.² Jørgensen, P.³ Aa, H.J.⁴ Jensen⁵ Padkjær, S.B.⁶ Helgaker, T.⁷

28
- 36149019129
- N. F. Ramsey, Phys. Rev. 1953, 91, 303.
- (1953) Phys. Rev. , vol.91 , pp. 303
- Ramsey, N.F.¹

29
- 3342969475
- P. Jørgensen, H. J. Aa, Jensen, J. Olsen, J. Chem. Phys. 1988, 89, 3654; J. Olsen, D. L. Yeager, P. Jørgensen, Chem. Phys. 1989, 91, 381.
- (1988) J. Chem. Phys. , vol.89 , pp. 3654
- Jørgensen, P.¹ Aa, H.J.² Jensen³ Olsen, J.⁴

30
- 36549094888
- P. Jørgensen, H. J. Aa, Jensen, J. Olsen, J. Chem. Phys. 1988, 89, 3654; J. Olsen, D. L. Yeager, P. Jørgensen, Chem. Phys. 1989, 91, 381.
- (1989) Chem. Phys. , vol.91 , pp. 381
- Olsen, J.¹ Yeager, D.L.² Jørgensen, P.³

31
- 0040689719
- T. Helgaker, M. Jaszuński, K. Ruud, A. Górska, Theor. Chem. Acc. 1998, 99, 175.
- (1998) Theor. Chem. Acc. , vol.99 , pp. 175
- Helgaker, T.¹ Jaszuński, M.² Ruud, K.³ Górska, A.⁴

32
- 21544434105
- J. Guilleme, J. San Fabián, J. Chem. Phys. 1998, 109, 8168.
- (1998) J. Chem. Phys. , vol.109 , pp. 8168
- Guilleme, J.¹ San Fabián, J.²

33
- 0000584523
- T. Helgaker, M. Jaszuński, K. Ruud, Chem. Rev. 1999, 99, 293.
- (1999) Chem. Rev. , vol.99 , pp. 293
- Helgaker, T.¹ Jaszuński, M.² Ruud, K.³

34
- 0004298938
- T. Helgaker, H. J. Aa, Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, T. Andersen, K. L. Bak, V. Bakken, O. Christiansen, P. Dahle, E. K. Dalskov, T. Enevoldsen, B. Fernandez, H. Heiberg, H. Hettema, D. Jonsson, S. Kirpekar, R. Kobayashi, H. Koch, K. V. Mikkelsen, P. Norman, M. J. Packer, T. Saue, P. R. Taylor, O. Vahtras, Dalton release 1.0, an electronic structure program. 1997. See http:// www.kjemi.uto.no/software/dalton/dalton.html.
- (1997) Dalton Release 1.0, An Electronic Structure Program
- Helgaker, T.¹ Aa, H.J.² Jensen³ Jørgensen, P.⁴ Olsen, J.⁵ Ruud, K.⁶ Ågren, H.⁷ Andersen, T.⁸ Bak, K.L.⁹ Bakken, V.¹⁰ Christiansen, O.¹¹ Dahle, P.¹² Dalskov, E.K.¹³ Enevoldsen, T.¹⁴ Fernandez, B.¹⁵ Heiberg, H.¹⁶ Hettema, H.¹⁷ Jonsson, D.¹⁸ Kirpekar, S.¹⁹ Kobayashi, R.²⁰ more..

35
- 0004142379
- University of Alberta, Edmonton
- S. Huzinaga, Approximate Atomic Functions. University of Alberta, Edmonton, 1971.
- (1971) Approximate Atomic Functions
- Huzinaga, S.¹

36
- 0000572756
- (Eds.: P. Diehl, E. Fluck, H. Günther, R. Kosfeld, J. Seelig), Springer, Berlin
- W. Kutzelnigg, U. Fleischer, M. Schindler in NMR Basic Principles and Progress, Vol. 23 (Eds.: P. Diehl, E. Fluck, H. Günther, R. Kosfeld, J. Seelig), Springer, Berlin, 1990, pp. 165-262.
- (1990) NMR Basic Principles and Progress , vol.23 , pp. 165-262
- Kutzelnigg, W.¹ Fleischer, U.² Schindler, M.³

37
- 0000781102
- P.-O. Åstrand, K. V. Mikkelsen, P. Jørgensen, K. Ruud. T. Helgaker, J. Chem. Phys. 1998, 108, 2528.
- (1998) J. Chem. Phys. , vol.108 , pp. 2528
- Åstrand, P.-O.¹ Mikkelsen, K.V.² Jørgensen, P.³ Ruud, K.⁴ Helgaker, T.⁵

38
- 0347090848
- H. J. Aa, Jensen, P. Jørgensen, H. Ågren, J. Olsen, J. Chem. Phys. 1998, 88, 3834.
- (1998) J. Chem. Phys. , vol.88 , pp. 3834
- Aa, H.J.¹ Jensen² Jørgensen, P.³ Ågren, H.⁴ Olsen, J.⁵

39
- 0000243674
- T. Egawa, S. Yamamoto, M. Nakata, K. Kuchitsu, J. Mol. Struct. 1987, 156, 213.
- (1987) J. Mol. Struct. , vol.156 , pp. 213
- Egawa, T.¹ Yamamoto, S.² Nakata, M.³ Kuchitsu, K.⁴

40
- 0009757089
- E. Hirota, J. Mol. Spectrosc. 1978, 71, 145.
- (1978) J. Mol. Spectrosc. , vol.71 , pp. 145
- Hirota, E.¹

41
- 36448998862
- A. T. Maynard, R. E. Wyatt, J. Chem. Phys. 1995, 103, 8372.
- (1995) J. Chem. Phys. , vol.103 , pp. 8372
- Maynard, A.T.¹ Wyatt, R.E.²

42
- 0011682081
- J. A. Pople, M. Head-Gordon, K. Raghavachari, J. Chem. Phys. 1987, 87, 5968.
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

43
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian 94, Revision B.1 (Gaussian, Inc., Pittsburgh PA, 1995).
- (1995) Gaussian 94, Revision B.1
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

44
- 0001929604
- R. Laatikainen, M. Niemitz, U. Weber, J. Sundelin, T. Hassinen, J. Vepsäläinen, J. Magn. Reson. A 1996, 120, 1.
- (1996) J. Magn. Reson. A , vol.120 , pp. 1
- Laatikainen, R.¹ Niemitz, M.² Weber, U.³ Sundelin, J.⁴ Hassinen, T.⁵ Vepsäläinen, J.⁶

45
- 84989093058
- R. Wasser, M. Kellerhals, P. Diehl, Magn. Reson. Chem. 1989, 27, 335.
- (1989) Magn. Reson. Chem. , vol.27 , pp. 335
- Wasser, R.¹ Kellerhals, M.² Diehl, P.³

46
- 6744222233
- Matlab Version 5.2.0.3084, see http://www.mathworks.com
- Version 5.2.0.3084
- Matlab¹

47
- 0000757076
- C. E. Blom, A. Müller, J. Mol. Spectrosc. 1978, 70, 449.
- (1978) J. Mol. Spectrosc. , vol.70 , pp. 449
- Blom, C.E.¹ Müller, A.²

48
- 0001102320
- S. Kondo, J. Chem. Phys. 1984, 81, 5945.
- (1984) J. Chem. Phys. , vol.81 , pp. 5945
- Kondo, S.¹

49
- 0000812244
- K. Kuchitsu, Y. Morino, Bull. Chem. Soc. Japan 1965, 38, 805.
- (1965) Bull. Chem. Soc. Japan , vol.38 , pp. 805
- Kuchitsu, K.¹ Morino, Y.²

50
- 0001606612
- J. Vaara, J. Lounila, K. Ruud, T. Helgaker, J. Chem. Phys. 1998, 109, 8388.
- (1998) J. Chem. Phys. , vol.109 , pp. 8388
- Vaara, J.¹ Lounila, J.² Ruud, K.³ Helgaker, T.⁴

51
- 0031559486
- J. Vaara, Y. Hiltunen, J. Chem. Phys. 1997, 107, 1744.
- (1997) J. Chem. Phys. , vol.107 , pp. 1744
- Vaara, J.¹ Hiltunen, Y.²

52
- 6744248140
- K. Jackowski, W. T. Raynes, J. Chem. Res. Synop. 1977, 3, 66.
- (1977) J. Chem. Res. Synop. , vol.3 , pp. 66
- Jackowski, K.¹ Raynes, W.T.²

53
- 0343445422
- A. Smith, W. T. Raynes, J. Cryst. Spectr. Res. 1983, 13, 77.
- (1983) J. Cryst. Spectr. Res. , vol.13 , pp. 77
- Smith, A.¹ Raynes, W.T.²

54
- 43949161745
- V. G. Malkin, O. L. Malkina, D. R. Salahub, Chem. Phys. Lett. 1994, 221, 91.
- (1994) Chem. Phys. Lett. , vol.221 , pp. 91
- Malkin, V.G.¹ Malkina, O.L.² Salahub, D.R.³

55
- 0000034869
- J. Jokisaari, Y. Hiltunen, Mol. Phys. 1983, 50, 1013.
- (1983) Mol. Phys. , vol.50 , pp. 1013
- Jokisaari, J.¹ Hiltunen, Y.²

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