Theoretical model for oxidative activation of the O-H bond to platinum(0) complexes

被引：10

作者：

Su, MD ^{[1
]}

Chu, SY ^{[1
]}

机构：

[1] Natl Tsing Hua Univ, Dept Chem, Hsinchu 30043, Taiwan

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 282卷 / 01期

关键词：

D O I：

10.1016/S0009-2614(97)01125-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A density functional study has been used to investigate potential energy surfaces of the oxidative addition reaction PtL2 + H-OCH3 --> PtL2(H)(OCH3) (L = CO, PH3, L-2 = H2PCH2PH2, H2PCH2CH2PH2). The B3LYP/LANL2DZ results suggest that a smaller L-M-L angle and a better electron-donating ligand should promote oxidative addition of the O-H bond of CH3OH. In contrast, a linear structure and a better electron-withdrawing ligand would be a good candidate for methanol elimination. (C) 1998 Elsevier Science B.V.

引用

收藏

页码：25 / 28

页数：4

相关论文

共 50 条

[21] Theoretical prediction of O-H, Si-H, and Si-C Σ-bond activation reactions by titanium(IV)-imido complex [J].

Ochi, Noriaki ;

Nakao, Yoshihide ;

Sato, Hirofumi ;

Sakaki, Shigeyoshi .

CANADIAN JOURNAL OF CHEMISTRY, 2009, 87 (10) :1415-1424

[22] Platinum and iridium complexes in C-H bond activation chemistry [J].

Tilley, T. Don ;

Bergman, Robert G. ;

Bowring, Miriam ;

Liberman-Martin, Allegra ;

Curley, John .

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245

[23] C-H bond activation by dicationic platinum(II) complexes [J].

Driver, Tom G. ;

Williams, Travis J. ;

Labinger, Jay A. ;

Bercaw, John E. .

ORGANOMETALLICS, 2007, 26 (02) :294-301

[24] THE BOND NUMBER RELATIONSHIP FOR THE O-H ... O SYSTEMS [J].

GRABOWSKI, SJ .

CROATICA CHEMICA ACTA, 1988, 61 (04) :815-819

[25] Insight into Varied Reaction Pathways for O-H and N-H Bond Activation by Bis(imino)pyridine Complexes of Al(III) [J].

Sherbow, Tobias J. ;

Carr, Cody R. ;

Saisu, Tomoya ;

Fettinger, James C. ;

Berben, Louise A. .

ORGANOMETALLICS, 2016, 35 (01) :9-14

[26] Germanium Complexes with O(N)under-barO Tridentate Ligands: O-H Bond Activation Control According to DFT Calculations [J].

Zaitsev, Kirill V. ;

Trubachev, Andrey D. ;

Poleshchuk, Oleg Kh. .

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 24 (12)

[27] Successive O-H and sp3 C-H bond activation of ortho-substituted phenols by a ruthenium(0) complex [J].

Hirano, M ;

Kurata, N ;

Komiya, S .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2000, 607 (1-2) :18-26

[28] Nonlinearity of the complex crystals with O-H bond [J].

Xue, DF ;

Zhang, SY .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1996, 57 (09) :1321-1328

[29] On the O-H bond dissociation enthalpy of catechol [J].

Zhang, HY .

NEW JOURNAL OF CHEMISTRY, 2003, 27 (03) :453-454

[30] Utilization of In Situ Generated Ruthenium(0) for O-H and C-H Bond Activation of N-(Aryl)salicylaldimines: Formation of New Complexes and Their Application in Catalytic Transfer Hydrogenation [J].

Dutta, Jayita ;

Mukherjee, Aparajita ;

Bhattacharya, Samaresh .

CHEMISTRY-AN ASIAN JOURNAL, 2025, 20 (10)

← 1 2 3 4 5 →