Institute of Inorganic Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057, Zürich, Switzerland.
Inorg Chem. 2011 Feb 21;50(4):1220-8. doi: 10.1021/ic101632v. Epub 2011 Jan 18.
A series of luminescent N-heterocyclic carbene platinum(II) complexes, [(pmim)Pt(C≡C-R)(2)] (R = C(6)H(5) (2), C(6)H(4)OMe (3), C(6)H(2)(OMe)(3) (4), C(6)H(4)NMe(2) (5), C(4)H(3)S (6), C(6)H(4)C≡CC(6)H(5) (7), 1-pyrenyl (8), and C(6)H(4)F (9)), were successfully synthesized using the precursor (pmim)PtI(2), 1 (pmim = 1,1'-dipentyl-3,3'-methylene-diimidazoline-2,2'-diylidene). The X-ray crystal structures of 1, 4, 5, and 7 have been determined. These complexes showed long-lived emission in solution at room temperature. The emission origin of the complexes is tentatively assigned to be from triplet states of predominantly intraligand (IL) character with some mixing of metal-to-ligand charge-transfer (MLCT) character. TD-DFT and DFT calculations have been performed on most of the complexes to ascertain the nature of the excited state. Changes in the alkynyl ligands lead to a change in the absorption and emission maxima seen for these complexes in a potentially predictable way.
一系列发光的 N-杂环卡宾铂(II)配合物，[(pmim)Pt(C≡C-R)(2)]（R = C(6)H(5)（2）、C(6)H(4)OMe（3）、C(6)H(2)(OMe)(3)（4）、C(6)H(4)NMe(2)（5）、C(4)H(3)S（6）、C(6)H(4)C≡CC(6)H(5)（7）、1- 吡咯基（8）和 C(6)H(4)F（9）），是使用前体 (pmim)PtI(2)，1（pmim = 1,1'-二戊基-3,3'-亚甲基-二咪唑啉-2,2'-二亚基）成功合成的。已经确定了 1、4、5 和 7 的 X 射线晶体结构。这些配合物在室温下的溶液中表现出长寿命的发射。配合物的发射起源被初步归因于主要为配体内（IL）特征的三重态，同时具有一些金属到配体电荷转移（MLCT）特征的混合。已经对大多数配合物进行了 TD-DFT 和 DFT 计算，以确定激发态的性质。炔基配体的变化导致这些配合物的吸收和发射最大值以潜在可预测的方式发生变化。
