TY - JOUR
T1 - Hydrothermal synthesis, structure and quantum chemistry of transition metal complex supported by metal-oxo cluster [(Ni(phen)2)2(ξ-Mo8O26)]
AU - Xu, Jiqing
AU - Wang, Renzhang
AU - Guo, Chunxiao
AU - Yang, Guoyu
AU - Zeng, Qingxin
AU - Bu, Weiming
AU - Ye, Ling
AU - Fan, Yuguo
AU - Yang, Guangdi
PY - 2001/4
Y1 - 2001/4
N2 - A nickel-1,10-phenanthroline complex supported on an octamolybdate, [(Ni(phen)2)2 (ξ-Mo8O26)], has been hydrothermally synthesized with MoO3, H2MoO4, Ni(OAc)2 • 6H2O and 1,10-phenathroline (1,10-phen) as raw materials. The crystals of the compound belong to monoclinic P21/n space group, a = 1.2952(2), b = 1.6659(10), c = 1.3956(12) nm, β = 106.273(8)°, V = 2.8906(5) nm3, Z = 2.5604 observable reflections (l >2σ(l)) were used for structure resolution and refinements to converge to final R1 = 0.0414, wR2 = 0.0815. The result of structure determination shows that the compound contains octamolybdate possessing a novel structure type (named as ξ-isomer). The feature of ξ-[Mo8O26]4- is that is composed of Mo6O6 ring and two Mo6 octahedra located at cap positions on opposite faces. The Mo6O6 ring contains two octahedral and four trigonal-bipyramidal MoVI atoms. Each ξ-[Mo8O26]4- unit is bonded with two [Ni(phen)2]2+ through terminal oxygen atoms of octahedral and neighbouring trigonal-bipyramidal Mo atom in the Mo6O6 ring. IR and UV-Vis spectra of the compound were measured and its electronic structure was studied by EHMO method.
AB - A nickel-1,10-phenanthroline complex supported on an octamolybdate, [(Ni(phen)2)2 (ξ-Mo8O26)], has been hydrothermally synthesized with MoO3, H2MoO4, Ni(OAc)2 • 6H2O and 1,10-phenathroline (1,10-phen) as raw materials. The crystals of the compound belong to monoclinic P21/n space group, a = 1.2952(2), b = 1.6659(10), c = 1.3956(12) nm, β = 106.273(8)°, V = 2.8906(5) nm3, Z = 2.5604 observable reflections (l >2σ(l)) were used for structure resolution and refinements to converge to final R1 = 0.0414, wR2 = 0.0815. The result of structure determination shows that the compound contains octamolybdate possessing a novel structure type (named as ξ-isomer). The feature of ξ-[Mo8O26]4- is that is composed of Mo6O6 ring and two Mo6 octahedra located at cap positions on opposite faces. The Mo6O6 ring contains two octahedral and four trigonal-bipyramidal MoVI atoms. Each ξ-[Mo8O26]4- unit is bonded with two [Ni(phen)2]2+ through terminal oxygen atoms of octahedral and neighbouring trigonal-bipyramidal Mo atom in the Mo6O6 ring. IR and UV-Vis spectra of the compound were measured and its electronic structure was studied by EHMO method.
KW - Metal-oxo cluster
KW - Supporting
KW - Transition metal complex
KW - ξ-octamolybdate
UR - http://www.scopus.com/inward/record.url?scp=0035307082&partnerID=8YFLogxK
U2 - 10.1007/BF02879531
DO - 10.1007/BF02879531
M3 - Article
AN - SCOPUS:0035307082
SN - 1006-9291
VL - 44
SP - 137
EP - 146
JO - Science in China, Series B: Chemistry
JF - Science in China, Series B: Chemistry
IS - 2
ER -