结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2004年
1期
105-111
,共7页
晶体结构%N-丙酰皮考林酰肼%镍配合物锰配合物
晶體結構%N-丙酰皮攷林酰肼%鎳配閤物錳配閤物
정체결구%N-병선피고림선정%얼배합물맹배합물
合成了含N-丙酰皮考林酰肼(简写为HL)的镍和锰2个配合物[NiL2] (1, C18H20N6NiO4, Mr = 443.11)及[MnL2] (2, C18H20N6MnO4, Mr = 439.34).2个配合物均属于单斜晶系, 空间群P21/c.配合物1的晶体学参数 a = 12.745(1), b = 8.5690(8), c = 18.259(2)A,β = 100.950(3)°, V = 1957.8(4)A3, Z = 4, F(000) = 920,μ(MoKα) = 1.029 mm-1, R = 0.0410, wR = 0.1069; 配合物2的晶体学参数a = 12.553(2), b = 8.360(1), c = 19.074(3)A,β= 101.329(6)°, V = 1962.7(5)A3, Z = 4, F(000) = 908,μ(MoKα) = 0.711 mm-1, R = 0.0637, wR = 0.1648.在配合物中, 镍(Ⅱ)原子和锰(Ⅱ)原子具有扭曲的N4O2八面体配位构型, 晶体通过分子间氢键作用形成一维的无限链状结构.红外光谱表明, 配体在形成配合物后,ν (C = O)和ν(C = N)红移.电子光谱表明存在d-d*, π-π*和d-π*的跃迁.
閤成瞭含N-丙酰皮攷林酰肼(簡寫為HL)的鎳和錳2箇配閤物[NiL2] (1, C18H20N6NiO4, Mr = 443.11)及[MnL2] (2, C18H20N6MnO4, Mr = 439.34).2箇配閤物均屬于單斜晶繫, 空間群P21/c.配閤物1的晶體學參數 a = 12.745(1), b = 8.5690(8), c = 18.259(2)A,β = 100.950(3)°, V = 1957.8(4)A3, Z = 4, F(000) = 920,μ(MoKα) = 1.029 mm-1, R = 0.0410, wR = 0.1069; 配閤物2的晶體學參數a = 12.553(2), b = 8.360(1), c = 19.074(3)A,β= 101.329(6)°, V = 1962.7(5)A3, Z = 4, F(000) = 908,μ(MoKα) = 0.711 mm-1, R = 0.0637, wR = 0.1648.在配閤物中, 鎳(Ⅱ)原子和錳(Ⅱ)原子具有扭麯的N4O2八麵體配位構型, 晶體通過分子間氫鍵作用形成一維的無限鏈狀結構.紅外光譜錶明, 配體在形成配閤物後,ν (C = O)和ν(C = N)紅移.電子光譜錶明存在d-d*, π-π*和d-π*的躍遷.
합성료함N-병선피고림선정(간사위HL)적얼화맹2개배합물[NiL2] (1, C18H20N6NiO4, Mr = 443.11)급[MnL2] (2, C18H20N6MnO4, Mr = 439.34).2개배합물균속우단사정계, 공간군P21/c.배합물1적정체학삼수 a = 12.745(1), b = 8.5690(8), c = 18.259(2)A,β = 100.950(3)°, V = 1957.8(4)A3, Z = 4, F(000) = 920,μ(MoKα) = 1.029 mm-1, R = 0.0410, wR = 0.1069; 배합물2적정체학삼수a = 12.553(2), b = 8.360(1), c = 19.074(3)A,β= 101.329(6)°, V = 1962.7(5)A3, Z = 4, F(000) = 908,μ(MoKα) = 0.711 mm-1, R = 0.0637, wR = 0.1648.재배합물중, 얼(Ⅱ)원자화맹(Ⅱ)원자구유뉴곡적N4O2팔면체배위구형, 정체통과분자간경건작용형성일유적무한련상결구.홍외광보표명, 배체재형성배합물후,ν (C = O)화ν(C = N)홍이.전자광보표명존재d-d*, π-π*화d-π*적약천.
