Croatica Chemica Acta, Vol. 42 No. 3, 1970.
Original scientific paper
Some Remarks on the Use of Experimental Bond Lengths in the Maximum Overlap Method
Z. B. Maksić
; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia
M. Eckert-Maksić
; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia
Abstract
The hybridization in norbornane, ethane, acetylene, cyclopropane,
cyclobutane and cyclopentane has been reexamined by
the maximum overlap calculations bas~d on experimental bond
lengths. The irregularity in the variations of the C-C bond lengths
in small ring hydrocarbons is discussed and a qualitative agreement
with the experimental bond lengths has been found. The results
also indicate that the use of experimental molecular geometry is
advantageous for the maximum overlap method.
Keywords
Hrčak ID:
197533
URI
Publication date:
30.10.1970.
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