RGe(I)Ge(I)R Compound (R = PhC(NtBu)2)with a Ge-Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine

被引:169
作者
Nagendran, Selvarajan [1 ]
Sen, Sakya S. [1 ]
Roesky, Herbert W. [1 ]
Koley, Debasis [2 ]
Grubmueller, Helmut [2 ]
Pal, Aritra [1 ]
Herbst-Irmer, Regine [1 ]
机构
[1] Univ Gottingen, Inst Anorgan Chem, D-37077 Gottingen, Germany
[2] Max Planck Inst Gottingen, Theoret & Computergestutzte Biophys, D-37077 Gottingen, Germany
关键词
D O I
10.1021/om800714f
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
This article reports the reduction of the chloride [PhC(NtBu)(2)]GeCl with potassium in THF to afford the reddish crystals of [PhC(NtBu)(2)](2)Ge-2 (2). The molecule of 2 contains a Ge-Ge bond. The X-ray structure and DFT calculation indicate that the Ge-Ge bond possesses an unusual gauche-bent geometry. The Ge-Ge bond length in 2 is 2.570 angstrom, which is very close to the single Ge-Ge interaction (2.61 angstrom) but significantly longer than that for typical digermenes, R2GeGeR2 (2.21-2.51 angstrom) and the two structurally characterized digermynes (2.2850 angstrom and 2.2060 angstrom), which proves that there is no multiple bond character in 2.
引用
收藏
页码:5459 / 5463
页数:5
相关论文
共 33 条
[1]  
[Anonymous], 2000, SAINT NT
[2]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[3]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[4]   AB-INITIO ENERGY-ADJUSTED PSEUDOPOTENTIALS FOR ELEMENTS OF GROUPS 13-17 [J].
BERGNER, A ;
DOLG, M ;
KUCHLE, W ;
STOLL, H ;
PREUSS, H .
MOLECULAR PHYSICS, 1993, 80 (06) :1431-1441
[5]  
Dennington R., 2008, GAUSSVIEW VERSION 5
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[7]   ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 1ST-ROW TRANSITION-ELEMENTS [J].
DOLG, M ;
WEDIG, U ;
STOLL, H ;
PREUSS, H .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) :866-872
[8]  
Frisch M., 2016, Gaussian, V16
[9]  
Glendening E.D., NBO VERSION 3 1, Patent No. [NBO3.1, 31]
[10]   THE ISOMERS OF SILACYCLOPROPANE [J].
GORDON, MS .
CHEMICAL PHYSICS LETTERS, 1980, 76 (01) :163-168