-
6
-
-
1642336025
-
-
Sapse, A.-M., Schleyer, P. v. R., Eds.; Wiley-Interscience: New York
-
(a) Lithium Chemistry: A Theoretical and Experimental Overview; Sapse, A.-M., Schleyer, P. v. R., Eds.; Wiley-Interscience: New York: 1995; pp 1-595.
-
(1995)
Lithium Chemistry: A Theoretical and Experimental Overview
, pp. 1-595
-
-
-
7
-
-
33748633427
-
-
(b) Lambert, C.; Schleyer, P. v. R. Angew. Chem., Int. Ed. Engl. 1994, 33, 1129-1140.
-
(1994)
Angew. Chem., Int. Ed. Engl.
, vol.33
, pp. 1129-1140
-
-
Lambert, C.1
Schleyer, P.V.R.2
-
8
-
-
0000736269
-
-
(c) Sannigrahi, A. B.; Kar, T.; Niyogi, B. Guha; Hobza, P.; Schleyer, P. v. R. Chem. Rev. 1990, 90, 1061-1076.
-
(1990)
Chem. Rev.
, vol.90
, pp. 1061-1076
-
-
Sannigrahi, A.B.1
Kar, T.2
Guha, N.B.3
Hobza, P.4
Schleyer, P.V.R.5
-
13
-
-
0032501392
-
-
Bachrach, S. M.; Hare, M.; Kass, S. R. J. Am. Chem. Soc. 1998, 120, 12646-12649.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 12646-12649
-
-
Bachrach, S.M.1
Hare, M.2
Kass, S.R.3
-
14
-
-
0141704726
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision B.01; Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
Gaussian 03, Revision B.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
15
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Oritz, J. V.; Baboul, A. G.; Stefanov, B. B.; Lui, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Ketih, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revisions A.9-11; Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revisions A.9-11
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Oritz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Lui, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Ketih, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
16
-
-
0002745201
-
-
(a) Hampel, C.; Peterson, K.; Werner, H.-J. Chem. Phys. Lett. 1992, 190, 1-12.
-
(1992)
Chem. Phys. Lett.
, vol.190
, pp. 1-12
-
-
Hampel, C.1
Peterson, K.2
Werner, H.-J.3
-
18
-
-
36449001370
-
-
(c) Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219-5227; erratum: J. Chem. Phys. 2000, 112, 3106.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219-5227
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
19
-
-
36449001370
-
Erratum
-
(c) Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219-5227; erratum: J. Chem. Phys. 2000, 112, 3106.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 3106
-
-
-
21
-
-
85005470381
-
-
Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Isr. J. Chem. 1993, 33, 345-350.
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 345-350
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
-
22
-
-
0012154673
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764-7776.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764-7776
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
24
-
-
0011083499
-
-
(b) Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899-926.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
26
-
-
36449009665
-
-
(b) Feller, D.; Glendening, E. D.; Kendall, R. A.; Peterson, K. A. J. Chem. Phys. 1994, 100, 4981-4997.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4981-4997
-
-
Feller, D.1
Glendening, E.D.2
Kendall, R.A.3
Peterson, K.A.4
-
29
-
-
84962534251
-
-
Lipkowitz, R. B., Boyd, D. B., Eds.; WCH: New York
-
(a) Bartlett, R. J.; Stanton, J. F. In Reviews in Computational Chemistry; Lipkowitz, R. B., Boyd, D. B., Eds.; WCH: New York, 1994; Vol. 5, pp 65-169.
-
(1994)
Reviews in Computational Chemistry
, vol.5
, pp. 65-169
-
-
Bartlett, R.J.1
Stanton, J.F.2
-
30
-
-
0000118021
-
-
(b) Scalmani, G.; Bredas, J. L.; Barone, V. J. Chem. Phys. 2000, 112, 1178-1191.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1178-1191
-
-
Scalmani, G.1
Bredas, J.L.2
Barone, V.3
-
31
-
-
84986468498
-
-
(a) Spitznagel, G. W.; Clark, T.; Chandrasekhar, J.; Schleyer, P. v. R. J. Comput. Chem. 1982, 3, 363-371.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 363-371
-
-
Spitznagel, G.W.1
Clark, T.2
Chandrasekhar, J.3
Schleyer, P.V.R.4
-
32
-
-
0009076511
-
-
(b) Chandrasekhar, J.; Pople, J. A.; Seeger, R.; Seeger, U.; Schleyer, P. v. R. J. Am. Chem. Soc. 1982, 104, 3651-3655.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 3651-3655
-
-
Chandrasekhar, J.1
Pople, J.A.2
Seeger, R.3
Seeger, U.4
Schleyer, P.V.R.5
-
33
-
-
0000065730
-
-
(c) Kaufmann, E.; Raghavachari, K.; Reed, A. E.; Schleyer, P. v. R. Organometallics 1988, 7, 1597-1607.
-
(1988)
Organometallics
, vol.7
, pp. 1597-1607
-
-
Kaufmann, E.1
Raghavachari, K.2
Reed, A.E.3
Schleyer, P.V.R.4
-
36
-
-
0000745054
-
-
(f) Grotjahn, D. B.; Pesch, T. C.; Xin, J.; Ziurys, L. M. J. Am. Chem. Soc. 1997, 119, 12368-12369.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 12368-12369
-
-
Grotjahn, D.B.1
Pesch, T.C.2
Xin, J.3
Ziurys, L.M.4
-
37
-
-
0041371675
-
-
(a) McKellar, A. R. W.; Bunker, P. R.; Sears, T. J.; Evenson, K. M.; Saykally, R. J.; Langhoff, S. R. J. Chem. Phys. 1983, 79, 5251-5264.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 5251-5264
-
-
McKellar, A.R.W.1
Bunker, P.R.2
Sears, T.J.3
Evenson, K.M.4
Saykally, R.J.5
Langhoff, S.R.6
-
38
-
-
0002644438
-
-
(b) Ervin, K. M.; Ho, J.; Lineberger, W. C. J. Chem. Phys. 1989, 91, 5974-5992.
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 5974-5992
-
-
Ervin, K.M.1
Ho, J.2
Lineberger, W.C.3
-
39
-
-
0032479044
-
-
(c) Wenthold, P. G.; Squires, R. R.; Lineberger, W. C. J. Am. Chem. Soc. 1998, 120, 5279-5290.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5279-5290
-
-
Wenthold, P.G.1
Squires, R.R.2
Lineberger, W.C.3
-
40
-
-
1642383309
-
-
note
-
This appears to be a general result for α-lithio anions.
-
-
-
-
41
-
-
0003464216
-
-
Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD
-
All of the cited thermochemistry, unless otherwise noted, comes from the following reference: Bartmess, J. E. In Secondary NIST Chemistry WebBook, NIST Standard Reference Database Number 69, Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD (http://webbook.nist.gov).
-
Secondary NIST Chemistry WebBook, NIST Standard Reference Database Number 69
-
-
Bartmess, J.E.1
-
43
-
-
0001751358
-
-
Similar results have been noted for the conversion of a monolithio compound to a dilithio species. (a) Streitwieser, A., Jr.; Swanson, J. T. J. Am. Chem. Soc. 1983, 105, 2502-2503.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 2502-2503
-
-
Streitwieser Jr., A.1
Swanson, J.T.2
-
44
-
-
0020920198
-
-
(b) Schleyer, P. v. R.; Kos, A. J.; Kaufmann, E. J. Am. Chem. Soc. 1983, 105, 7617-7623.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7617-7623
-
-
Schleyer, P.V.R.1
Kos, A.J.2
Kaufmann, E.3
-
47
-
-
1642391303
-
-
note
-
In general, the Mulliken charges are ∼0.3 smaller than those from the natural population analysis.
-
-
-
-
49
-
-
1642399411
-
-
note
-
Actually, it is possible to observe ions with negative electron binding energies, but they are so short-lived that nobody has been able to study the reactivity of such species.
-
-
-
-
50
-
-
0025795244
-
-
Sana, M.; Leroy, G.; Wilante, C. Organomet. 1991, 10, 264-270.
-
(1991)
Organomet.
, vol.10
, pp. 264-270
-
-
Sana, M.1
Leroy, G.2
Wilante, C.3
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