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The Mills-Nixon effect in trindan and some related tris-annelated benzenes (CROSBI ID 135001)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Eckert-Maksić, Mirjana ; Maksić, Zvonimir B. ; Hodošćek, M. ; Poljanec, K. The Mills-Nixon effect in trindan and some related tris-annelated benzenes // Journal of molecular structure. Theochem, 285 (1993), 2; 187-194. doi: 10.1016/0166-1280(93)87034-B

Podaci o odgovornosti

Eckert-Maksić, Mirjana ; Maksić, Zvonimir B. ; Hodošćek, M. ; Poljanec, K.

engleski

The Mills-Nixon effect in trindan and some related tris-annelated benzenes

Structural features of trindan and some related tris-annelated benzenes are examined by the SCF 3-21 G procedure. It turns out that the central fragment exhibits characteristic albeit rather weak Mills-Nixon (MN) type of distortion in all studied systems. This finding is in agreement with some available accurate X-ray data. In trindan, however. X-ray measurements are less precise thus yielding less conclusive evidence. Nevertheless, if upper and lower levels of the experimental errors are taken into account, the MN effect just might be operative in this molecule too. Both theoretical and experimental geometries are interpreted in terms of the rehybridization concept caused by fusion and redistribution of the π -density arising due to hyperconjugation with CH2 groups of annelated carbocycles. Both mechanisms act sinergistically in the same direction leading to MN deformations.

Mills-Nixon effect

nije evidentirano

nije evidentirano

nije evidentirano

nije evidentirano

nije evidentirano

nije evidentirano

Podaci o izdanju

285 (2)

1993.

187-194

objavljeno

0166-1280

1872-7999

10.1016/0166-1280(93)87034-B

Povezanost rada

Kemija

Poveznice
Indeksiranost