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Journal of Molecular Structure: THEOCHEM

Volumn 544, Issue 1-3, 2001, Pages 5-23

A theoretical study of the addition reactions of HF, H2O, H2S, NH3 and HCN to carbodiimide and related heterocumulenes

(3) Sanchez Andrada P a Alkorta, I b Elguero, J b

a UNIVERSITY OF MURCIA (Spain)

b INSTITUTO DE QUÍMICA MÉDICA (Spain)

Author keywords

Carbodiimides; Carbon dioxide; Cumulenes; Ketene; Nucleophilic addition

Indexed keywords

AMMONIA; CARBON DIOXIDE; FLUORIDE; HYDROFLUORIC ACID; HYDROGEN CYANIDE; HYDROGEN SULFIDE; IMIDE; KETENE DERIVATIVE; NITROGEN; WATER;

ARTICLE; CHEMICAL BINDING; ENERGY TRANSFER; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; REACTION ANALYSIS; STRUCTURE ANALYSIS; SURFACE PROPERTY;

EID: 0035796608 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00515-7 Document Type: Article

Times cited : (9)

References (123)

1
- 33947448822
- (1953) Chem. Rev. , vol.53 , pp. 145
- Khorana, H.G.¹

2
- 0014074505
- (1967) Chem. Rev. , vol.67 , pp. 107
- Kurzer, F.¹ Douraghi-Zadeh, K.²

3
- 0003627206
- Wiley, New York, chaps. 2, 3 and 18
- (1980) The Chemistry of Ketenes, Allenes and Related Compounds
- Patai, S.¹

4
- 42249094799
- (1981) Tetrahedron , vol.37 , pp. 233
- Mikolajczyk, M.¹ Kielbasinski, P.²

5
- 0004616916
- (1950) J. Am. Chem. Soc. , vol.72 , pp. 761
- Schneider, W.C.¹

6
- 0001150125
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 5213
- Rapi, G.¹ Sbrana, G.²

7
- 0002384661
- (1971) Theor. Chim. Acta , vol.22 , pp. 111
- Kochanski, E.¹ Lehn, J.M.² Levy, B.³

8
- 84971041829
- (1973) Aust. J. Chem. , vol.26 , pp. 461
- Hart, B.T.¹

9
- 0001261517
- (1982) J. Mol. Struct. (Theochem) , vol.89 , pp. 103
- Daoudi, A.¹ Pouchan, C.² Sauvaitre, H.³

10
- 37049094627
- (1983) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 1297
- Nguyen, M.-T.¹ Ha, T.-K.²

11
- 0001309508
- (1968) J. Am. Chem. Soc. , vol.90 , pp. 2471
- Gordon, M.S.¹ Fisher, H.²

12
- 0002508204
- (1968) Theor. Chim. Acta , vol.12 , pp. 91
- Lehn, J.M.¹ Munsch, B.²

13
- 0542450284
- (1971) Theor. Chim. Acta , vol.23 , pp. 195
- Williams, D.R.¹ Damrauer, R.²

14
- 0001755025
- (1970) J. Am. Chem. Soc. , vol.92 , pp. 2557
- Anet, F.A.L.¹ Jochims, J.C.² Bradley, C.H.³

15
- 0004608143
- (1980) J. Org. Chem. , vol.45 , pp. 1315
- Damrauer, R.¹ Soucy, D.² Winkler, P.³ Eby, S.⁴

16
- 0000536411
- (1988) Chem. Phys. , vol.122 , pp. 305
- Nguyen, M.-T.¹ Rijjs, N.V.² Radom, L.³ Winnewisser, M.⁴ Winewisser, P.P.⁵ Birk, M.⁶

17
- 0004631642
- (1989) Inorg. Chem. , vol.28 , pp. 2161
- Gordon, M.S.¹ Schmidt, M.W.² Koseki, S.³

18
- 0001311036
- (1994) J. Org. Chem. , vol.59 , pp. 7306
- Molina, P.¹ Alajarín, M.² Sánchez-Andrada, P.³ Elguero, J.⁴ Jimeno, M.L.⁵

19
- 0000360166
- (1996) J. Org. Chem. , vol.61 , pp. 4289
- Molina, P.¹ Alajarín, M.² Sánchez-Andrada, P.³ Server-Carrió, J.⁴ Martinez-Ripoll, M.⁵ Anderson, J.E.⁶ Jimeno, M.L.⁷ Elguero, J.⁸

20
- 0004631840
- (1998) J. Mol. Struct. (Theochem) , vol.427 , pp. 185
- Yavari, L.¹ Nori-Shargh, D.² Dadgar, M.³ Taherpur, A.⁴

21
- 37049085301
- (1992) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 299
- Bertrán, J.¹ Oliva, A.² Jose, J.³ Duran, M.⁴ Molina, P.⁵ Alajarín, M.⁶ López-Leonardo, C.⁷ Elguero, J.⁸

22
- 0026641806
- (1992) Tetrahedron , vol.48 , pp. 7425
- Rzepa, H.S.¹ Molina, P.² Alajarín, M.³ Vidal, A.⁴

23
- 0032569202
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 8541
- Lewis, M.¹ Glaser, R.²

24
- 84962415057
- (1999) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 813
- Nguyen, M.-T.¹ Raspoet, G.² Vanquickenborne, L.G.³

25
- 0027181299
- (1993) Tetrahedron Lett. , vol.34 , pp. 5155
- Molina, P.¹ Alajarín, M.² Sánchez-Andrada, P.³

26
- 0026510241
- (1992) J. Org. Chem. , vol.57 , pp. 929
- Molina, P.¹ Alajarín, M.² Vidal, A.³ Sánchez-Andrada, P.⁴

27
- 0003569570
- Oxford University Press, New York
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

28
- 0001192473
- K.B. Lipkowitz, D.B. Boyd (Eds.), VCH, New York
- (1996) Reviews in Computational Chemistry , vol.7 , pp. 187-216
- Bartolotti, L.J.¹ Fluchick, K.²

29
- 84987059635
- (1975) Int. J. Quantum Chem. , vol.9 , pp. 229
- Binkley, J.S.¹ Pople, J.A.²

30
- 84986444438
- (1976) Int. J. Quantum Chem. Symp. , vol.10 , pp. 1
- Pople, J.A.¹ Binkley, J.S.² Seeger, R.³

31
- 84873055189
- Wiley, New York
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

33
- 0342415826
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2625
- McIver, J.W.¹ Komomicki, A.K.²

34
- 37549006850
- (1968) Tetrahedron , vol.24 , pp. 1083
- Wiberg, K.B.¹

35
- 36148995600
- (1985) Chem. Phys. , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.J.³

36
- 0011083499
- (1988) Chem. Rev. , vol.88 , pp. 899
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

37
- 0345042108
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 1434
- Reed, A.E.¹ Scheleyer, P.V.R.²

38
- 0004157499
- Oxford University Press, New York
- (1990) Atoms in Molecules. A Quantum Theory
- Bader, R.F.W.¹

39
- 0004575209
- (1955) Chem. Ber. , vol.88 , pp. 481
- Micheel, F.¹ Brunkhorst, W.²

40
- 0004631476
- (1958) Chem. Ber. , vol.91 , pp. 1992
- Macholdt-Erdniss, J.¹

41
- 0004616920
- (1960) J. Chem. Soc. , pp. 3240
- Kurcer, F.¹ Sanderson, P.M.²

42
- 0004569296
- (1975) Ann. Rev. Biochem. , vol.44 , pp. 923
- Zelitch, I.¹

43
- 0014135426
- (1967) Physiological Rev. , vol.47 , pp. 595
- Maren, T.H.¹

44
- 0005918872
- (1951) Biol. Rev. Cambridge Phil. Soc. , vol.26 , pp. 87
- Davies, R.E.¹

45
- 0024397507
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 5636
- Merz, K.M.¹ Hoffmann, R.² Dewar, M.J.S.³

46
- 33845278732
- (1988) Acc. Chem. Res. , vol.21 , pp. 30
- Silverman, D.N.¹ Lindskog, S.²

47
- 0020668933
- (1983) Crit. Rev. Biochem. , vol.14 , pp. 207
- Silverman, D.N.¹ Vincent, S.H.²

48
- 0020693901
- (1983) Ann. Rev. Biochem. , vol.52 , pp. 17
- Lipscomb, W.N.¹

49
- 0004290366
- T.G. Spiro (Ed.), Wiley, New York
- (1983) Zinc Enzymes
- Lindskog, S.¹

50
- 0018115385
- (1978) Adv. Enzymol. , vol.47 , pp. 149
- Pocker, Y.¹ Sarkanen, S.²

51
- 0000478529
- (1981) Struct. Bonding (Berlin) , vol.48 , pp. 45
- Bertini, I.¹ Luchinat, C.² Scozzafava, A.³

52
- 0014418397
- (1968) Biochem. Biophys. Acta , vol.165 , pp. 515
- Magid, E.¹ Turbeck, B.O.²

53
- 0033306104
- (1999) Can. J. Chem. , vol.77 , pp. 934
- Guthrie, J.P.¹

54
- 0000835784
- (1976) Chem. Phys. Lett. , vol.41 , pp. 317
- Jönsson, B.¹ Karlström, G.² Wenerström, H.³ Roos, B.⁴

55
- 25144477272
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 4628
- Jönsson, B.¹ Karlström, G.² Wenerström, H.³ Forsen, S.⁴ Roos, B.⁵ Almlöf, J.⁶

56
- 0021757390
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 599
- Nguyen, M.-T.¹ Ha, T.-K.²

57
- 0013447128
- (1987) J. Mol. Struct. (Theochem) , vol.150 , pp. 319
- Nguyen, M.-T.¹ Hegarty, A.F.²

58
- 0001343254
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 7973
- Merz, K.M.¹

59
- 0016390537
- (1974) Biochemistry , vol.13 , pp. 1160
- Fung, C.H.¹ Mildvan, A.S.² Leigh, J.S.³

60
- 0017276617
- (1976) Biochemistry , vol.15 , pp. 85
- Fung, C.H.¹ Gupta, R.K.² Mildvan, A.S.³

61
- 37049069721
- (1993) Chem. Soc. Perkin Trans. , vol.2 , pp. 521
- Andrés, J.¹ Moliner, V.² Krechl, J.³ Silla, E.J.⁴

62
- 0004574777
- (1993) Int. J. Quant. Chem. , vol.45 , pp. 443
- Andrés, J.¹ Moliner, V.² Krechl, J.³ Silla, E.⁴

63
- 0004006407
- Enke, Stuttgart
- (1912) Die Ketene
- Staudinger, H.¹

64
- 0000537881
- (1946) Org. Reactions , vol.3 , pp. 108
- Hanford, W.E.¹ Sauer, J.C.²

65
- 0004564598
- S. Patai (Ed.), Interscience, New York
- (1964) The Chemistry of the Alkenes , pp. 1161-1227
- Lacey, R.N.¹

66
- 0011878207
- (1975) Chem. Soc. Rev. , vol.4 , pp. 231
- Satchell, D.P.N.¹ Satchell, R.S.²

67
- 0003627206
- Wiley, New York chaps 1, 2, 8 and 9
- (1980) The Chemistry of Ketenes, Allenes and Related Compounds
- Patai, S.¹

68
- 0000823485
- (1981) Tetrahedron , vol.37 , pp. 2949
- Brady, W.T.¹

69
- 0000675615
- (1986) Tetrahedron , vol.42 , pp. 2587
- Seikaly, H.R.¹ Tidwell, T.T.²

70
- 0004616923
- Theime Verlag, Stuttgart, chaps. 4, 6 and 8
- (1993) Methoden der Organischen Chemi , vol.E15 , Issue.PART 3
- Schauman, E.¹ Scheiblich, S.²

71
- 0003828015
- Wiley, New York
- (1995) Ketenes
- Tidwell, T.T.¹

72
- 84918123527
- (1968) J. Chem. Soc. B , pp. 897
- Lillford, P.J.¹ Satchell, D.P.N.²

73
- 0004575212
- (1983) J. Chem. Res. Synop. , pp. 182
- Poon, N.L.¹ Satchell, D.P.N.²

74
- 0004575213
- (1980) Can. J. Chem. , vol.58 , pp. 2203
- Chiang, Y.¹ Kresge, A.J.² Tidwell, T.T.³ Walsh, P.A.⁴

75
- 21744443237
- (1996) Russ. J. Org. Chem. , vol.32 , pp. 463
- Lyashchuk, S.N.¹ Skrypnik, Y.G.²

76
- 33845469752
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 1552
- Nguyen, M.-T.¹ Hegarty, A.F.²

77
- 4043076189
- (1986) Chem. Phys. , vol.110 , pp. 263
- Ruelle, P.¹

78
- 0001362371
- (1987) Chem. Phys. Lett. , vol.138 , pp. 486
- Nguyen, M.-T.¹ Ruelle, P.²

79
- 0001675707
- (1989) J. Mol. Struct. (Theochem) , vol.201 , pp. 249
- Xie, J.F.¹ Yu, J.G.² Feng, W.L.³ Liu, R.Z.⁴

80
- 0000688631
- (1992) J. Phys. Chem. , vol.96 , pp. 8065
- Skancke, P.N.¹

81
- 0001251035
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5114
- Duan, X.¹ Page, M.²

82
- 0001215795
- (1995) J. Phys. Chem. , vol.99 , pp. 11883
- Nguyen, M.-T.¹ Sengupta, D.² Raspoet, G.³ Vanquickenborne, L.G.⁴

83
- 0001581224
- (1980) J. Phys. Chem. , vol.84 , pp. 3270
- Bothe, E.¹ Dessouki, A.M.² Schulte-Frohlinde, D.³

84
- 37049092636
- (1983) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 1381
- Poon, N.L.¹ Satchell, D.P.N.²

85
- 0000447481
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 2774
- Allen, A.D.¹ Tidwell, T.T.²

86
- 0000418426
- (1990) Acc. Chem. Res. , vol.23 , pp. 273
- Tidwell, T.T.¹

87
- 0001768316
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 10097
- Zhao, D.C.¹ Allen, A.D.² Tidwell, T.T.³

88
- 0000679403
- (1995) J. Phys. Chem. , vol.99 , pp. 11115
- Butkovskaya, N.I.¹ Manke, G.² Setser, D.W.³

89
- 1542527192
- (1997) J. Org. Chem. , vol.61 , pp. 18
- Egle, I.¹ Lai, W.-Y.² Moore, P.A.³ Renton, P.⁴ Tidwell, T.T.⁵ Zhao, D.C.⁶

90
- 0001176922
- (1991) J. Mol. Struct. (Theochem) , vol.233 , pp. 165
- Andraos, J.¹ Kresage, A.J.²

91
- 0000048820
- (1991) J. Mol. Struct. (Theochem) , vol.232 , pp. 155
- Andraos, J.¹ Kresage, A.J.² Peterson, M.R.³ Csizmadia, I.G.⁴

92
- 0032495788
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 3043
- Sung, K.¹ Tidwell, T.T.²

93
- 84985385954
- (1984) Int. J. Chem. Kinet. , vol.16 , pp. 525
- Mackier, J.C.¹ Doolan, K.R.²

94
- 0004631847
- (1999) J. Chem. , vol.77 , pp. 817
- Nguyen, M.T.¹ Raspoet, G.² An, C.³

95
- 0002521765
- (2000) J. Phys. Org. Chem. , vol.13 , pp. 46
- Nguyen, M.T.¹ Raspoet, G.² Vanquickenborne, L.G.³

96
- 0004637527
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 962
- Hurd, C.D.¹ Williams, J.W.²

97
- 0004631646
- (1980) J. Indian, Chem. Soc. , vol.57 , pp. 744
- Vasi, I.G.¹ Nanavati, N.T.²

98
- 0026656371
- (1992) Synth. Commun. , vol.22 , pp. 2329
- López-Alvardo, P.¹ Avendaño, C.² Menéndez, J.C.³

99
- 0003178269
- (1996) Tetrahedron , vol.22 , pp. 2649
- Briody, J.M.¹ Satchell, D.P.N.²

100
- 37049137911
- (1967) J. Chem. Soc. B , pp. 360
- Lillford, P.J.¹ Satchell, D.P.N.²

101
- 84912967861
- (1968) J. Chem. Soc. B , pp. 54
- Lillford, P.J.¹ Satchell, D.P.N.²

102
- 37049126582
- (1970) J. Chem. Soc. B , pp. 1016
- Lillford, P.J.¹ Satchell, D.P.N.²

103
- 0001225213
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 5643
- Andraos, J.¹ Kresge, A.²

104
- 0030794409
- (1997) Tetrahedron Lett. , vol.38 , pp. 5147
- De Lucas, N.C.¹ Netto-Ferreira, J.C.² Andraos, J.³ Lusztyk, J.⁴ Wagner, B.D.⁵ Scaiano, J.C.⁶

105
- 0032481654
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 1827
- Wagner, B.D.¹ Arnold, B.R.² Brown, G.S.³ Lusztyk, J.⁴

106
- 0029994866
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 3994
- Frey, J.¹ Rappoport, Z.²

107
- 0001176011
- (1997) Rochlin Pure Appl. Chem. , vol.69 , pp. 1933
- Rappoport, J.¹ Frey, M.² Sigalov, E.³

108
- 0033534570
- (1999) J. Org. Chem. , vol.64 , pp. 266
- Allen, A.D.¹ Tidwell, T.T.²

109
- 84987013553
- (1988) J. Phys. Org. Chem. , vol.1 , pp. 83
- Lee, I.¹ Song, C.H.² Uhm, T.S.³

110
- 0032567419
- (1998) J. Org. Chem. , vol.63 , pp. 9669
- Raspoet, G.¹ Nguyen, M.T.² Kelly, S.³ Hegarty, A.F.⁴

111
- 0034681477
- (2000) Angew. Chem. Int. Ed. Engl. , vol.39 , pp. 717
- Ugalde, J.M.¹ Alkorta, I.² Elguero, J.³

112
- 0001003255
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 6332
- Heinnrich, N.¹ Koch, W.² Morrow, J.C.³ Schwarz, H.⁴

113
- 0025281992
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 1754
- Wang, K.¹ Houk, K.N.²

114
- 0000625341
- (1990) J. Org. Chem. , vol.55 , pp. 3582
- Valentí, E.¹ Pericás, M.A.² Moyano, A.³

115
- 0001546986
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 2106
- Bernardi, F.¹ Bottoni, A.² Robb, M.A.³ Venturini, A.⁴

116
- 0004592883
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 5195
- Seidl, E.T.¹ Schaefer, H.F.²

117
- 0004625746
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 5200
- Schaad, L.J.¹ Gutman, I.² Hess, B.A.³ Hu, J.⁴

118
- 0028109179
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 2085
- Cossío, F.P.¹ Arrieta, A.² Lecea, B.³ Ugalde, J.M.⁴

119
- 0001086559
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 12314
- Lecea, B.¹ Arrieta, A.² López, X.³ Ugalde, J.M.⁴ Cossïo, F.P.⁵

120
- 84961985040
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 816
- Morao, I.¹ Lecea, B.² Arrieta, A.³ Cossío, F.P.⁴

121
- 0033429746
- (1999) Theor. Chem. Acc. , vol.102 , pp. 139
- Yamabe, S.¹ Kuwata, K.² Minato, T.³

122
- 0004165225
- McGraw-Hill, New York
- (1965) Chemical Kinetics , pp. 115
- Laidler, K.J.¹

123
- 0003600860
- Cambridge University Press, Cambridge
- (1972) Organic Reactions and Orbital Symmetry , pp. 255
- Gilchrist, T.L.¹ Storr, R.C.²

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