The complex [N,N'-ethylenebis(1-phenyl-3-imino-1-butanonato] Mn(III).
thiocyanate has been synthesized. The title compound Mn(III)(bzacen)(N
CS) crystallizes in the triclinic system,space group <(P)over bar 1>,
with parameters: a = 1.0702(3) nm, b = 1.2343(2) nm, c = 0.8999(2) nm,
alpha = 93.74(2)degrees, beta = 97.09(2)degrees, gamma = 109.07(2)deg
rees, V = 1.1078(9) nm(3), D-c = 1.377 g . cm(-3), Z = 2, F (000) = 47
6, mu = 6.85 cm(-1). The final R value is 0.052 for 3205 observed refl
ections with I greater than or equal to 4 sigma(I). The coordination g
eometry around Mn atom is distorted square pyramidal,the basal plane c
onsisting oi two nitrogen atoms and two oxygen atoms from the Schiff b
ase ligand bzacen(2-), while axial site is occupied by a nitrogen atom
from NCS- group. The packing of the molecules leaves empty channels r
unning through the crystal along the c axis. The shifts of nu(C=N,)nu(
C=O) and nu(C=C) to lower frequencies in IR and Raman spectra indicate
that the ligand bzacen(2-) has been coordinated to Mn atom through it
s nitrogen and oxygen atoms. The lines observed at 462 cm(-1) and 399
cm(-1) in Raman spectrum are assigned to Mn-O and Mn-N vibrations, res
pectively. There are pi similar to pi transition, d similar to pi* ch
arge-transfer transitions and d similar to d transition in electronic
spectrum. The current potential curve in acetontrile reveals that Mn
(III) is in stable valence state. The electronic structure was studied
by the EHMO calculation.