TY - JOUR
T1 - A combined experimental and computational investigation on Tetrakis-mu-acetato-bis (acetamido)dicopper(II) and its application as a single source precursor for copper oxide
AU - Trivedi, M
AU - Nagarajan, R
AU - Kumar, A
AU - Molloy, Kieran C
AU - Kociok-Kohn, Gabriele
AU - Sudlow, Anna L
PY - 2011/6
Y1 - 2011/6
N2 - The physico-chemical properties of the Tetrakis-mu-acetato-bis(acetamido)dicopper(II) [Cu(O2CCH3)(2)(CH3CONH2)](2) (1), have been thoroughly investigated via an integrated multi-technique experimental-computational approach. In the newly found orthorhombic compound, as revealed by low temperature single-crystal X-ray studies, the complex is present as centrosymmetrical dimeric unit, has a paddle-wheel conformation with four acetate ligands bridging two symmetry-related Cu-II ions. The distorted octahedral coordination environment around the Cu-II ion is completed by an oxygen atom from an acetamide ligand. The compound sublimates, without premature side decompositions, at 180 degrees C. The structural, electronic and thermal behavior of the neutral complex (1) has been investigated. The present study suggests application of [Cu(O2CCH3)(2)(CH3CONH2)](2) (1) as a precursor for copper-based materials by Chemical Vapor Deposition.
AB - The physico-chemical properties of the Tetrakis-mu-acetato-bis(acetamido)dicopper(II) [Cu(O2CCH3)(2)(CH3CONH2)](2) (1), have been thoroughly investigated via an integrated multi-technique experimental-computational approach. In the newly found orthorhombic compound, as revealed by low temperature single-crystal X-ray studies, the complex is present as centrosymmetrical dimeric unit, has a paddle-wheel conformation with four acetate ligands bridging two symmetry-related Cu-II ions. The distorted octahedral coordination environment around the Cu-II ion is completed by an oxygen atom from an acetamide ligand. The compound sublimates, without premature side decompositions, at 180 degrees C. The structural, electronic and thermal behavior of the neutral complex (1) has been investigated. The present study suggests application of [Cu(O2CCH3)(2)(CH3CONH2)](2) (1) as a precursor for copper-based materials by Chemical Vapor Deposition.
KW - copper(II) complex
KW - chemical vapor deposition
KW - hydrogen bond interactions
KW - TD-DFT
KW - X-ray structure
UR - http://www.scopus.com/inward/record.url?scp=79955848721&partnerID=8YFLogxK
UR - http://dx.doi.org/10.1016/j.inoche.2011.03.031
U2 - 10.1016/j.inoche.2011.03.031
DO - 10.1016/j.inoche.2011.03.031
M3 - Article
SN - 1387-7003
VL - 14
SP - 920
EP - 924
JO - Inorganic Chemistry Communications
JF - Inorganic Chemistry Communications
IS - 6
ER -