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The crystal structure of 1 shows that the coordination environments of four Mn(III) ions in every Mn4 units are different from each other and the bridging modes of every two Mn(III) ions are not completely the same indicate that the magnetic coupling relations between Mn(III) ions are extraordinary complicated. To qualitatively evaluate the magnitude of the magnetic interaction in manganese ions, we tried to simplify the coupling relation between the four Mn(III) ions with one coupling constant J. In general, the weaker magnetic interaction are not considered in order to reduce the calculation parameters and simplify the model. The layer can be schematically illustrated in Scheme 1.
On the basis of the regular tetrahedron arrangement of MnIII4 model, the magnetic susceptibilities can be fitted accordingly by the following expression given in Equation (1) derived from the spin Hamiltonian Ĥ = -2J(Ŝ1Ŝ2+Ŝ1Ŝ4+ Ŝ2Ŝ3+ Ŝ3Ŝ4),

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3Â¥: Originally posted by spiegboy at 2014-01-12 13:42:28
several phrases need to be further revised.

1. much weaker molecular magnetic interactions...
2, magnetic susceptibility.  (there can be only one static magnetic susceptibility in one system.)

9Â¥2014-01-15 10:28:24
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RXMCDM

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The crystal structure of 1 shows that the coordination environments of each  of the  four Mn(III) ions in  Mn4 unit are different  and the bridging modes of  each of  two Mn(III) ions are not  the same  indicated  the  complicated magnetic coupling relations between Mn(III) ions . In order to qualitatively evaluate the magnitude of the magnetic interaction  between  manganese ions and  simplify the coupling relationship between the four manganese ions,we introduced  a coupling constant J.Further, in order to reduce the computational parameters and simplify the model ,the weaker magnetic interaction model molecules are not taken into account .According to  tetrahedral arrangement of the MnIII4 system (Scheme 1),the magnetic susceptibilities of the system (Equation 1) can be derived  from the spin Hamiltonian Ĥ = -2J(Ŝ1Ŝ2+Ŝ1Ŝ4+ Ŝ2Ŝ3+ Ŝ3Ŝ4).
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2Â¥2014-01-12 00:34:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

spiegboy

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È»memory: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú, ллÄãµÄÖ¸µã 2014-01-12 20:30:29
several phrases need to be further revised.

1. much weaker molecular magnetic interactions...
2, magnetic susceptibility.  (there can be only one static magnetic susceptibility in one system.)

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

3Â¥2014-01-12 13:42:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

RXMCDM

°æÖ÷ (ÎÄ̳¾«Ó¢)

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¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
È»memory: ½ð±Ò+15, ·­ÒëEPI+1, ¡ï¡ï¡ïºÜÓаïÖú 2014-01-12 20:30:15
°´ÈýÂ¥µÄ½¨Ò飬ÐÞ¸ÄÈçÏÂ,Ô­ÎĵÄto ¸ÄΪin order to ,Òâ˼ÊÇÒ»ÑùµÄ£¬Ö»ÊÇ˳¿ÚһЩ£¬Ò»°ã·­Òëºó»¹Òª¶Áһϣ¬¸Ð¾õͨ˳ΪºÃ£¡
The crystal structure of 1 shows that the coordination environments of each  of the  four Mn(III) ions in  Mn4 unit are different  and the bridging modes of  each of  two Mn(III) ions are not  the same  indicated  the  complicated magnetic coupling relations between Mn(III) ions . In order to qualitatively evaluate the magnitude of the magnetic interaction  between  manganese ions and  simplify the coupling relationship between the four manganese ions,we introduced  a coupling constant J.Further, in order to reduce the computational parameters and simplify the model ,the  much weaker molecular magnetic interactions are not taken into account .According to  tetrahedral arrangement of the MnIII4 system (Scheme 1),the magnetic susceptibility of the system (Equation 1) can be derived  from the spin Hamiltonian Ĥ = -2J(Ŝ1Ŝ2+Ŝ1Ŝ4+ Ŝ2Ŝ3+ Ŝ3Ŝ4).
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4Â¥2014-01-12 14:21:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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