-
3
-
-
0040573985
-
-
Scriven, E. F. V., Ed.; Academic Press: New York
-
See: Breslow, D. In Azides and Nitrenes, Reactivity and Utility; Scriven, E. F. V., Ed.; Academic Press: New York, 1984; p 491.
-
(1984)
Azides and Nitrenes, Reactivity and Utility
, pp. 491
-
-
Breslow, D.1
-
5
-
-
0030916668
-
-
(a) Gritsan, N. P.; Yuzawa, T.; Platz, M. S. J. Am. Chem. Soc. 1997, 119, 5059.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5059
-
-
Gritsan, N.P.1
Yuzawa, T.2
Platz, M.S.3
-
6
-
-
0030905248
-
-
(b) Born, R.; Burda, C.; Senn, P.; Wirz, J. J. Am. Chem. Soc. 1997, 119, 5061.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5061
-
-
Born, R.1
Burda, C.2
Senn, P.3
Wirz, J.4
-
7
-
-
0001035085
-
-
(a) Marcinek, A.; Platz, M. S.; Chan, S. Y.; Floresca, R.; Rajagopalan, K.; Golinski, M.; Watt, D. J. Phys. Chem. 1994, 98, 412.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 412
-
-
Marcinek, A.1
Platz, M.S.2
Chan, S.Y.3
Floresca, R.4
Rajagopalan, K.5
Golinski, M.6
Watt, D.7
-
8
-
-
0000235516
-
-
(b) Gritsan, N. P.; Zhai, H. B.; Yuzawa, T.; Karweik, D.; Brooke, J.; Platz, M. S. J. Phys. Chem. A 1997, 101, 2833.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 2833
-
-
Gritsan, N.P.1
Zhai, H.B.2
Yuzawa, T.3
Karweik, D.4
Brooke, J.5
Platz, M.S.6
-
10
-
-
33845375138
-
-
(b) Leyva, E.; Platz, M. S.; Persy, G.; Wirz, J. J. Am. Chem. Soc. 1986, 108, 3783.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 3783
-
-
Leyva, E.1
Platz, M.S.2
Persy, G.3
Wirz, J.4
-
12
-
-
0042240678
-
-
(d) For references of Shpolskii matrixes, see: Migirdicyan, E.; Kozankiewicz, B.; Platz, M. S. Adv. Carbene Chem. 1998, 2, 97.
-
(1998)
Adv. Carbene Chem.
, vol.2
, pp. 97
-
-
Kozankiewicz, B.1
Platz, M.S.2
-
15
-
-
0001362419
-
-
Kim, S. J.; Hamilton, T. P.; Schaefer, H. P., III J. Am. Chem. Soc. 1992, 114, 5349.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 5349
-
-
Kim, S.J.1
Hamilton, T.P.2
Schaefer H.P. III3
-
16
-
-
0001706391
-
-
(a) Hrovat, D. A.; Waali, E. E.; Borden, W. T. J. Am. Chem. Soc. 1992, 114, 8698.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8698
-
-
Hrovat, D.A.1
Waali, E.E.2
Borden, W.T.3
-
19
-
-
0000700393
-
-
(a) Abramovitch, R. A.; Challand, S. R.; Yamada, Y. J. J. Org. Chem. 1975, 40, 1541.
-
(1975)
J. Org. Chem.
, vol.40
, pp. 1541
-
-
Abramovitch, R.A.1
Challand, S.R.2
Yamada, Y.J.3
-
20
-
-
0005779513
-
-
(b) Banks, H. E.; Sparkes, G. R. J. Chem. Soc., Perkin Trans. 1972, 1, 1964.
-
(1972)
J. Chem. Soc., Perkin Trans.
, vol.1
, pp. 1964
-
-
Banks, H.E.1
Sparkes, G.R.2
-
21
-
-
85034121021
-
-
U.S. Patent 3,238, 1966
-
(c) Haszeldine, R. N.; Parkinson, A. R.; Birchall, J. M. U.S. Patent 3,238, 1966.
-
-
-
Haszeldine, R.N.1
Parkinson, A.R.2
Birchall, J.M.3
-
23
-
-
0037862871
-
-
release 4.5 for Windows, Moleculer Modeling System, Hypercube, Inc.
-
Hyperchem, release 4.5 for Windows, Moleculer Modeling System, Hypercube, Inc., 1995.
-
(1995)
Hyperchem
-
-
-
24
-
-
84871008794
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94
-
-
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
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
25
-
-
0842341771
-
-
(a) Dewar, M. J. S.; Zoebsh, E. W.; Haels, E. E.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebsh, E.W.2
Haels, E.E.3
Stewart, J.J.P.4
-
27
-
-
85034124766
-
-
Dewar Research group, University of Texas: Austin, Texas
-
(c) AMPAC package; Dewar Research group, University of Texas: Austin, Texas.
-
AMPAC Package
-
-
-
30
-
-
0004007159
-
-
University of Lund: Sweden
-
Andersson, K.; Blomberg, M. R. A.; Fulscher, M. P.; Karlstrom, G.; Kello, V.; Lindh, R.; Malmqvist, P.-A.; Noga, J.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Siegbahn, P. E. M.; Urban, M.; Widmark, P.-O. MOLCAS 4; University of Lund: Sweden.
-
MOLCAS 4
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fulscher, M.P.3
Karlstrom, G.4
Kello, V.5
Lindh, R.6
Malmqvist, P.-A.7
Noga, J.8
Olsen, J.9
Roos, B.O.10
Sadlej, A.J.11
Siegbahn, P.E.M.12
Urban, M.13
Widmark, P.-O.14
-
32
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
35
-
-
0033577015
-
-
Gritsan, N. P.; Zhu, Z.; Hadad, C. M.; Platz, M. S. J. Am. Chem. Soc. 1999, 121, 1202-1207.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 1202-1207
-
-
Gritsan, N.P.1
Zhu, Z.2
Hadad, C.M.3
Platz, M.S.4
-
36
-
-
0013230013
-
-
Després, A.; Lejeune, V.; Migirdicyan, E.; Platz, M. S. J. Phys. Chem. 1992, 96, 2486.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 2486
-
-
Després, A.1
Lejeune, V.2
Migirdicyan, E.3
Platz, M.S.4
-
37
-
-
85034121476
-
-
note
-
-1) are 66.8, 74.9, 112.3, 138.0, 160.3, 178.1, 195.0, 270.9, 275.6, 283.6, 297.5, 308.9, 324.5, 335.1, 336.6, 369.3, 392.7, 393.8, 420.7, 448.5, 506.0, 507.2, 526.4, 539.2, 554.5, 584.9, 608.5, 647.8, 743.7, 770.2, 805.8, 816.0, 961.1, 1047.7, 1108.5, 1154.5, 1258.7, 1261.6, 1270.5, 1310.1, 1342.1, 1391.0, 1410.2, 1459.8, 1493.6, 1523.6, 1559.8, 1601.9, 1664.5, 1693.0, and 3439.4.
-
-
-
-
38
-
-
85034154000
-
-
note
-
Although the DFT methods used in this work cannot treat an open-shell singlet nitrene, they allow us to evaluate the energy change of the rearrangement reaction based on Karney and Borden's calculations (ref 10b) which showed the ketenimine and singlet PN were similar in energy.
-
-
-
-
40
-
-
33845282320
-
-
Leyva, E.; Platz, M. S.; Niu, B.; Wirz, J. J. Phys. Chem. 1987, 91, 2293.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 2293
-
-
Leyva, E.1
Platz, M.S.2
Niu, B.3
Wirz, J.4
|