Chemistry Reference
In-Depth Information
11.
a) A. Bohnen, K.-H. Koch, W. Lüttke, K. Müllen,
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29
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(1990). b) M. Baumgarten, K.-H. Koch, K. Müllen,
J. AM. CHEM. SOC.
116
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(1994).
12.
J. L. Brédas, R. H. Baughman,
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13.
a) H. Brockmann, R. Randebrock,
CHEM. BER.
84
, 533 (1951). b) H. Kuroda,
J. CHEM. PHYS.
33
, 1586 (1960). c) E. Clar, W. Schmidt,
TETRAHEDRON
33
, 2093
(1977). d) S. M. Arabei, T. A. Pavich,
J. APPL. SPECTROSC.
67
, 236 (2000). e) G. G.
D'yachenko, V. A. Petukhoc, S. M. Arabei, T. A. Pavich,
J. APPL. SPECTROSC.
70
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(2003).
14.
a) M. N. Glukhovtsev, R. D. Bach, S. Laiter,
J. MOL. STRUCT
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(THEOCHEM)
417
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(1997). b) S. W. Slayden, J. F. Liebman,
CHEM. REV.
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15.
The Π-bonding energy is estimated from the rotational barrier in ethylene. See, B. S.
Rabinovitch, F. S. Looney,
J. CHEM. PHYS.
23
, 315 (1955).
16.
a) P. v. R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N. J. R. v. E. Hommes,
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118
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R. Puchta, P. v. R. Schleyer,
CHEM. REV.
105
, 3842 (2005). c) P. Lazzeretti,
PHYS.
CHEM. CHEM. PHYS.
6
, 217 (2004). d) The NICS calculation might overgeneralize
aromaticity, see A. Datta, S. S. Mallajosyula, S. K. Pati,
ACC. CHEM. RES.
40
, 213
(2007). e) G. Schreckenbash, T. Ziegler,
J. PHYS. CHEM.
99
, 606 (1995).
17.
The ring A also has a large negative NICS value. This can be explained by the sextet
migration from the ring B to the ring A. See the reference 6a, and M. RandiĆ,
CHEM.
REV.
103
, 3449 (2003).
18.
a) H. Brockmann, R. Randebrock,
CHEM. BER.
84
, 533 (1951). b) H. Kuroda,
J. CHEM. PHYS.
33
, 1586 (1960). c) E. Clar, W. Schmidt,
TETRAHEDRON
33
, 2093
(1977). d) S. M. Arabei, T. A. Pavich,
J. APPL. SPECTROSC.
67
, 236 (2000). e) G. G.
D'yachenko, V. A. Petukhoc, S. M. Arabei, T. A. Pavich,
J. APPL. SPECTROSC.
70
, 208
(2003). f) Very recently the X-ray structure of a derivative of
3-3
has been reported;
see, J. Li, K. Zhang, X. Zhang, K.-W. Huang, C. Chi, J. Wu,
J. ORG. CHEM.
75
, 856
(2010).
19.
L. Pauling, L. O. Brockway,
J. AM. CHEM. SOC.
59
, 1223 (1937).
20.
a) C. P. Brock, J. D. Dunitz,
ACTA CRYSTALLOGR., SECT. B: STRUCT. SCI.
46
, 795 (1990).
b) V. PetŘíČek, I. CísaŘová, L. Hummel, J. Hroupa, B. BŘezina,
ACTA CRYSTALLOGR.,
SECT. B: STRUCT. SCI.
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21.
R. Hoffmann,
J. AM. CHEM. SOC.
90
, 1475 (1968).
22.
Appearance of NMR signals would be more sensitive to paramagnetic species, since
it is well-known that paramagnetic species greatly reduce spin-lattice relaxation
times
T
1
. Even very small amount of paramagnetic species influences the line-width
of signals and can cause signal-broadening in NMR spectra.
