Electronic structure investigation of Ti 3 AlC 2 , Ti 3 SiC 2 , and Ti 3 GeC

نویسندگان

  • Per Eklund
  • Hans Högberg
  • Lars Hultman
  • O. Wilhelmsson
  • P. Eklund
  • H. Högberg
  • L. Hultman
چکیده

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Titanium(II) and titanium(III) tetrahydroborates. Crystal structures of [Li(Et2O)2][Ti2(BH4)5(PMe2Ph)4], Ti(BH4)3(PMe2Ph)2, and Ti(BH4)3(PEt3)2.

The molecular structures of the titanium(III) borohydride complexes Ti(BH4)3(PEt3)2 and Ti(BH4)3(PMe2Ph)2 have been determined. If the BH4 groups are considered to occupy one coordination site, both complexes adopt distorted trigonal bipyramidal structures with the phosphines in the axial sites; the P-Ti-P angles deviate significantly from linearity and are near 156 degrees. In both compounds, ...

متن کامل

The structure and chemistry of tris(pentafluorophenyl)borane protected mononuclear nitridotitanium complexes.

Treatment of TiCl(NMe(2))(3) with H(3)N·B(C(6)F(5))(3) results in N-H activation and ligand exchange to yield the structurally characterised salt [TiCl(NMe(2))(2)(NMe(2)H)(2)](+)[Ti[triple bond]NB(C(6)F(5))(3)(Cl)(2)(NMe(2)H)(2)](-). Cation exchange with [Me(4)N]Cl, [Ph(4)P]Cl and [(PhCH(2))Ph(3)P]Cl yields the respective ammonium and phosphonium salts of the [Ti[triple bond]NB(C(6)F(5))(3)(Cl)...

متن کامل

Adsorption and dissociation of NH3 on clean and hydroxylated TiO2 rutile (110) surfaces: A computational study

The adsorption and dissociation of NH(3) on the clean and hydroxylated TiO(2) rutile (110) surfaces have been investigated by the first-principles calculations. The monodentate adsorbates such as H(3)N-Ti(a), H(2)N-Ti(a), N-Ti(a), H(2)N-O(a), HN-O(a), N-O(a) and H-O(a), as well as the bidentate adsorbate, Ti-N-Ti(a) can be formed on the clean surface. It is found that the hydroxyl group enhance...

متن کامل

A heterobimetallic complex featuring a Ti–Co multiple bond and its application to the reductive coupling of ketones to alkenes† †Electronic supplementary information (ESI) available: Experimental procedures, additional spectroscopic data for 1–4, and computational details of 2 and 3. CCDC 1037714–1037716. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03772c Click here for additional data file. Click here for additional data file.

To explore metal–metal multiple bonds between first row transition metals, Ti/Co complexes supported by two phosphinoamide ligands have been synthesized and characterized. The Ti metalloligand Cl2Ti(XylNP Pr2)2 (1) was treated with CoI2 under reducing conditions, permitting isolation of the Ti/ Co complex [(m-Cl)Ti(XylNPPr2)2CoI]2 (2). One electron reduction of complex 2 affords ClTi(XylNPPr2)2...

متن کامل

Synthesis and mechanical properties of Ti 3 GeC 2 and Ti 3 ( Si x Ge 1 − x ) C 2 ( x = 0 . 5 , 0 . 75 ) solid solutions

In this paper we report on the synthesis and characterization of Ti3GeC2, Ti3Si0.5Ge0.5C2, and Ti3Si0.75Ge0.25C2 solid solutions. Polycrystalline, fully dense, predominantly single phase samples of Ti3Si0.5Ge0.5C2, Ti3Si0.75Ge0.25C2, and Ti3GeC2 of varying grain sizes were fabricated by reactive hot isostatic pressing (HIP) or hot pressing of Ti, C, SiC, and Ge powders. Based on the lattice par...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2009