本研究合成一系列含2-乙醯基口比咯二價銅錯合物，〔Cu(2acpyr)2(L)2〕, 〔Cu(2acpyr)2(LL)2〕，其中2acpyr代表2-乙醯基口比咯，以帶負電的口比咯氮和羰基上的氧與二價銅配位，是一個雙牙團配子。L代表單牙團配子，LL代表雙牙團配子，其中單牙團配子包含氨(NH3), 1-甲基咪唑(NMIm)，口比啶(py), 4-胺基口比啶(4apy), 4-二甲基胺基口比啶(4dmapy)；而雙牙團配子包含1, 10-二雜菲（phen），2,2'－聯口比啶（bipy），n,n'－二甲基乙二胺(dmen), N, N, N', N'-四甲基乙二胺。利用元素分析，紅外線光譜，可見光-近紅外光光譜，電子順磁共振光譜和x-光單晶繞射結構解析等方法，完成錯合物結構的鑑定及鍵結性質的探討。
目前已完成x-光單晶繞射結構解析的二價銅錯合物有五種，分述如下：
(1)〔Cu(2acpyr)2(phen)〕
單斜晶系(monclinic)，空間群為P21/n，晶體常數：a=8.090 (1)A, b=15.678 (1) A, c=16.796 (2) A,β=99.51 (1)0，每個單位晶格含有四個分子(Z=4)，精算值R=0.036及Rw=0.048。
(2)〔Cu(2acpyr)2(tmen)〕
單斜晶系(monclinic)，空間群為P21/n，晶體常數：a=9.501 (1) A, b=14.290 (2)A, c=15.148 (3) A, β=106.48 (2)0,.每個單位晶格含有四個分子(Z=4)，精算值R=0.040及Rw=0.062
(3)〔Cu(2acpyr)2(4apy)2〕
單斜晶系(monclinic)，空間群為P21/n，晶體常數a=8.629 (1)A b=11.635 (1)A, c=10.884 (1)A, β=91.33 (1)0，每個單位晶格含有二個分子(Z=2)，精算值R=0.037及Rw=0.043
(4)〔Cua(cpyr)2(NMIm)2〕
單斜晶系(monclinic)，空間群為P21/n，晶體常數a=9.672 (1) A, b=8.752 (2) A, c=12.770 (2)A, β=105.31 (1)0，每個單位晶格含有二個分子(Z=2)，精算值R=0.029及Rw=0.031.
二價銅和配子之間的鍵結性質，可用可見光-近紅外光光譜的高斯交疊解析來說明，我們將二價銅d-軌域能階標定如下：
dxy>dz2>dx2-y2>dyz>dxz－－〔Cu(2acpyr)2(LL)〕〔Cu(2acpy)2(LL)〕(C104)2
dx2-y2>dz2>dxy>dyz>dyz－－〔Cu(2acpyr)2(L)2〕
由標定的二價銅d軌域能階順序，並對照其它相關的二價銅錯合物——〔Cu(tmen)(NH3)2(C104)2〕，〔Cu(NMIm)4(C104)2〕, [Cu(2acpy)2(LL)](2acpy=2-乙醯基?啶LL=phen, bipy, dmen)，很明顯的看dxy軌域能階往上提升說明帶負電的2-乙醯基咯是一個π-供給基(π-donor)。而且在[Cu(2acpyr)2(NMIm)2]錯合物中，NMIm的咪唑環與CuN4平面幾乎平行，和二價銅之間也有π-供給效應的存在。

2-Acetylpyrrolatocopper (II) complexes of the general formulas, [Cu(2acpyr)2(L)2] and [Cu(2acpyr)2(LL)], where 2acypr represents 2-acetylpyrrole anion, have been synthesized. The 2-acetylpyrrolato anion serves as a bidentate ligand with the pyrrole nitrogen atom, and the carbonyl oxygen atom bonded to Cu(II). The monodentate ligands are ammonia (NH3), 1-methylimidazole (NMIm), pyridine (py), 4-aminopyridine (4apy), and 4-dimethylaminopyridine (4dmapy). The bidentate ligands LL include 1, 10-phenanthroline (phen), 2, 2'- bipyridine (bipy), N, N' -dimethylethylenediamine (dmen), N, N, N', N' -Tetramethylethylenediamine (tmen). The complexes were characterized by elemental analysis, and uv-vis, ir, epr spectroscopic measurements. In some cases single- crystal x-ray structures were determined. The bonding properties were elucidated.
By single-crystal x-ray diffraction method, the crystal and molecular structures of [Cu(2acpyr)2 (phen)], [Cu(2acpyr)2(tmen)], [Cu(2acpyr)2(NMIm)2], [Cu(2acpyr)2(4apy)2], and [Cu(2acpyr)2(4dmapy)2] have been determined. The crystal data of these five complexes are described below:
(1)〔Cu(2acppr)2(phen)〕crystallizes in monclinic space group P21/n with a=8.090 (1)A, b=15.678 (1) A, c=16.796 (2) A,β=99.51 (1)°, Z=4, R=0.036 and Rw=0.048。
(2)〔Cu(2acpyr)2(tmen)〕crystallizes in monclinic space group P21/n with a=9.501 (1) A, b=14.290 (2)A, c=15.148 (3) A, β=106.48 (2)°, Z=4 and R=0.040 and Rw=0.062
(3)〔Cu(2acpyr)2(4apy)2〕crystallizes in monclinic space group P21/n with a=8.629 (1)A b=11.635 (1)A, c=10.884 (1)A, β=91.33 (1)°, Z=2) and R=0.037and Rw=0.043
(4)〔Cu(acpyr)2(NMIm)2]crystallizes in monclinic space group P21/n with a=9.672 (1) A, b=8.752 (2) A, c=12.770 (2)A, β=105.31 (1)0, (Z=2) and R=0.029 and Rw=0.031.
The solid state LF spectra of the complexes were deconvoluted into Gaussian component bands and the results were empolyed to interprete the bonding properties of the Cu(II)-N chromophores. In the meantime, the sequences of d orbitals were assigned as following:
dxy>dz2>dx2-y2>dyz>dxz－－〔Cu(2acpyr)2(LL)2〕〔Cu(2acpy)2(LL)〕2(C104)2〕
dx2-y2>dz2>dxy>dyz>dyz－－〔Cu(2acpyr)2(L)2〕
Compared with the Gaussian deconvolution of other Cu(II) complexes --[Cu(tmen)(NH3)2(C104)2], [Cu(NMIm)4(C104)2], and [Cu(2acpy)2(L)] (where 2acpy presents 2-acetylpyridine, L=phen, bipy, dmen), it is obvious that the energy of the dxy orbital of Cu(II) was elevated significantly and this situation results from excellent π -donating ability of the anionic 2-acetylpyrrole ligand. On the other hand, the NMIm ligand of the Cu(2acpyr)2(NMIm)2 lying nearly parpllel to CuN4 coordination plane is suggested having π-donating interaction with the Cu(II) dxz orbital.