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Synthesis, Structural Characterisation, and Monte Carlo Simulation of the Magnetic Properties of the 3D‐Stacked Honeycomb Cs n [{Mn(N 3 ) 3 } n ] and the Irregular Double Chain [{N(C 2 H 5 ) 4 } n ][{Mn 2 (N 3 ) 5 (H 2 O)} n ]
Author(s) -
Goher Mohamed A. S.,
Cano Joan,
Journaux Yves,
AbuYoussef Morsy A. M.,
Mautner Franz A.,
Escuer Albert,
Vicente Ramon
Publication year - 2000
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(20000303)6:5<778::aid-chem778>3.0.co;2-p
Subject(s) - antiferromagnetism , manganese , crystallography , monte carlo method , chain (unit) , ferromagnetism , group (periodic table) , honeycomb , materials science , chemistry , spin (aerodynamics) , physics , combinatorics , condensed matter physics , mathematics , thermodynamics , composite material , statistics , organic chemistry , astronomy , metallurgy
Two new polymeric manganese‐azido systems with formula Cs n [{Mn(N 3 ) 3 } n ] ( 1 ) and [{N(C 2 H 5 ) 4 } n ][{Mn 2 (N 3 ) 5 (H 2 O)} n ] ( 2 ) were synthesised and structurally characterised. Compound 1 crystallises in the P 2 1 /n group and consists of a three‐dimensional system with end‐to‐end and end‐on azido bridges with the caesium atoms in the holes of the net. Magnetically, compound 1 is a rare case of a three‐dimensional network with alternate ferro‐antiferromagnetic interactions. Compound 2 crystallises in the P 1¯ group and consists of double chains of manganese atoms bridged by end‐on and, the exceptional, ( μ ‐1,1,1)‐azido bridges. Magnetically, compound 2 shows net ferromagnetic behaviour. Exact fit of the magnetic data was performed for the two compounds by means of Monte Carlo simulations based on the Metropolis algorithm on sets of 10×10×10 ( 1 ) and 1×1×320 ( 2 ) S =5/2 classical spin centres.