By D. Wales, R.A. Christie, G.E. Ewing, B. Jeziorski, K.D. Jordan, K. Patkowski, K. Szalewicz, S.S. Xantheas

ISBN-10: 3540039899

ISBN-13: 9783540039891

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Extra resources for Structure and Bonding, Volume 2

Sample text

In particular, a strong ligand field may produce a diamagnetic ferrous complex whereas other ferrous complexes possessing weaker ligand fields will, as a consequence, be paramagnetic. The t2-orbitals are three-fold degenerate; hence they may contain a maximum of six electrons. Similarly the e-orbitals are two-fold degenerate and may therefore accommodate a maximum of four electrons. With this information we may list all the possible electronic configurations without regard as to their energies: (3d) 5, Fe 3+" t~, t~e, t~e 2, t ~~e ,3 t~e 4 {3d) s, Fe2+: t~, t~e, t4e ~, t~e 3, t~e' These configurations together with the spin alignments corresponding to the maximum value of S are shown in Fig.

We shall discuss this classification scheme with respect to the spinor group O* which is related to the group O in the manner shown by the character table (Table 5). It may be noted that O* contains all the irreducible representations contained in O plus three additional representations: E', E " and U' (or F6, Fv and Fs) which have the dimensions 2, 2 and 4 respectively. Discussions of these groups are given by Griffith (21), Ballhausen (2), and Koster et al. (34). 40 T h e P h y s i c s of H e m o g l o b i n Table 5.

W i t h X a p p r o x i m a t e l y equal to 435 cm -1, t h e o r b i t a l s e p a r a t i o n s are r - r = 1040 cm -1 a n d r162- r = 2580 cm -~. T h e t e t r a g o n a l s p l i t t i n g (~) a n d t h e r h o m b i c s p l i t t i n g (Vt) are a = (~- ~) - ~ (~ - r = 2060 cm -1 V"= r -- r --~ 1040 cm -1 (109) Griffith (19) It2- 1 > which w o r k e d w i t h t h e set of orbitals It2 1 > , It2 0 > a n d are r e l a t e d t o t h e ~, ~, ~ o r b i t a l s b y Eqs. (56). T h e p r o c e d u r e is e n t i r e l y analogous to t h a t described above.

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Structure and Bonding, Volume 2 by D. Wales, R.A. Christie, G.E. Ewing, B. Jeziorski, K.D. Jordan, K. Patkowski, K. Szalewicz, S.S. Xantheas

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