Correlation of nonorthogonality of best hybrid bond orbitals with bond strength of orthogonal orbitals
نویسندگان
چکیده
منابع مشابه
Angles between orthogonal spd bond orbitals with maximum strength.
An equation is derived for values of bond angles for two equivalent best spd hybrid bond orbitals with given amounts of s, p, and d character, and is applied in the discussion of structures of transargononic compounds, including the xenon and halogen fluorides. Bond orbitals with a rather small amount of d character tend to lie at angles 90 degrees and 180 degrees , and those with a larger amou...
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The pair-defect-sum approximation to the bond strength of a hybrid orbital (angular wave functions only) is compared to the rigorous value as a function of bond angle for seven types of bonding situations, with between three and eight bond directions equivalent by geometrical symmetry operations and with only one independent bond angle. The approximation is seen to be an excellent one in all ca...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1976
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.73.2.274