Influence of nitrogen substituent of amidinate ligands to the stability of Co(II) bis-amidinate ALD precursors

被引：0
|
作者：
Li Jia-Ye [1 ]
Wu Jin-Ping [1 ]
Zhou Cheng-Gang [1 ]
Yao Shu-Juan [1 ]
Han Bo [1 ]
机构：
[1] China Univ Geosci, Inst Theoret Chem & Computat Mat Sci, Wuhan 430074, Peoples R China
来源：
ACTA CHIMICA SINICA | 2008年 / 66卷 / 02期
关键词：
atomic layer deposition; bis-amidinate; transition state; density functional theory;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Metal bis-amidinate precursor is a promising candidate for atomic layer deposition (ALD) technology. The stability of these kinds of precursors can be characterized by calculating the migrating energy barrier and the reaction energy of beta-group migration. Using density functional theory (DFT), the influence of nitrogen substituent of amidinate ligands to the stability of Co(II) bis-amidinate ALD precursors has been investigated. Calculation results show that the migration of beta-H is significantly easier than that of beta-Me, and the migrating sequence of beta-group in different precursors is Co[Pr-i-MeAMD](2)<Co[Bu-s-MeAMD](2)<Co[Bu-t-MeAMD](2).
引用
收藏
页码：165 / 169
页数：5
相关论文
共 24 条
  • [1] Atomic layer deposition to fine-tune the surface properties and diameters of fabricated nanopores
    Chen, P
    Mitsui, T
    Farmer, DB
    Golovchenko, J
    Gordon, RG
    Branton, D
    [J]. NANO LETTERS, 2004, 4 (07) : 1333 - 1337
  • [2] Synthesis and structures of mono- and bis(amidinate) complexes of aluminum
    Coles, MP
    Swenson, DC
    Jordan, RF
    Young, VG
    [J]. ORGANOMETALLICS, 1997, 16 (24) : 5183 - 5194
  • [3] Aluminum complexes incorporating bulky nitrogen and sulfur donor ligands
    Coles, MP
    Swenson, DC
    Jordan, RF
    Young, VG
    [J]. ORGANOMETALLICS, 1998, 17 (18) : 4042 - 4048
  • [4] AN ALL-ELECTRON NUMERICAL-METHOD FOR SOLVING THE LOCAL DENSITY FUNCTIONAL FOR POLYATOMIC-MOLECULES
    DELLEY, B
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (01): : 508 - 517
  • [5] From molecules to solids with the DMol3 approach
    Delley, B
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18): : 7756 - 7764
  • [6] Ancillary ligand effects in organoyttrium chemistry: Synthesis, characterization, and electronic structure of bis(benzamidinato)yttrium compounds
    Duchateau, R
    vanWee, CT
    Meetsma, A
    vanDuijnen, PT
    Teuben, JH
    [J]. ORGANOMETALLICS, 1996, 15 (09) : 2279 - 2290
  • [7] SYNCHRONOUS-TRANSIT METHOD FOR DETERMINING REACTION PATHWAYS AND LOCATING MOLECULAR TRANSITION-STATES
    HALGREN, TA
    LIPSCOMB, WN
    [J]. CHEMICAL PHYSICS LETTERS, 1977, 49 (02) : 225 - 232
  • [8] HAN DG, 2001, PHYS CHEM, P19
  • [9] Atomic layer deposition of hafnium and zirconium oxides using metal amide precursors
    Hausmann, DM
    Kim, E
    Becker, J
    Gordon, RG
    [J]. CHEMISTRY OF MATERIALS, 2002, 14 (10) : 4350 - 4358
  • [10] Highly conformal atomic layer deposition of tantalum oxide using alkylamide precursors
    Hausmann, DM
    de Rouffignac, P
    Smith, A
    Gordon, R
    Monsma, D
    [J]. THIN SOLID FILMS, 2003, 443 (1-2) : 1 - 4
123