Syntheses, solid-state structures, solution behavior of hypervalent organobismuth(III) compounds [2-(Et2NCH2)C6H4]nBiX3-n and DFT characterization of [2-(Me2NCH2)C6H4]nBiX3-n [X = Cl, Br, I; n=1-3]

被引：28
作者：
Soran, Albert [1 ]
Breunig, Hans J. [2 ]
Lippolis, Vito [3 ]
Arca, Massimiliano [3 ]
Silvestru, Cristian [1 ]
机构：
[1] Univ Babes Bolyai, Fac Chem & Chem Engn, RO-400028 Cluj Napoca, Romania
[2] Univ Bremen, Inst Anorgan & Phys Chem, D-28334 Bremen, Germany
[3] Univ Cagliari, Dipartimento Chim Inorgan & Analit, I-09042 Monserrato, CA, Italy
来源：
JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2010年 / 695卷 / 06期
关键词：
Bismuth; Hypervalent; Halides; X-ray diffraction; Supramolecular; DFT calculations; ARYL BISMUTH COMPOUNDS; DOUBLY BONDED SYSTEMS; CRYSTAL-STRUCTURE; OXIDATIVE ADDITION; DIHALIDES; DIBISMUTHENE; LIGANDS; SE; ORGANOANTIMONY(III); DERIVATIVES;
D O I：
10.1016/j.jorganchem.2010.01.004
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The reaction of RLi [R = 2-(Et2NCH2)C6H4] with BiCl3 in 3:1 or 2:1 molar ratio afforded R3Bi (1) and R2BiCl (2), respectively. Redistribution reactions between 1 and BiCl3 (1:2 molar ratio) resulted in RBiCl2 (5). R2BiBr (3) formed from RMgBr and BiCl3 (2:1 molar ratio). R2BiI (4) and RBiX2 [X = Br (6), I (7)] were obtained from 2 and 5 by halogen-exchange reactions using KX in water/CH2Cl2 mixture. Compounds 1-7 were characterized by FT-Raman/IR, H-1 and C-13 NMR spectroscopies as well as mass spectrometry. The structures of 1-4 were determined by single-crystal X-ray diffraction. They all have pyramidal C3Bi or C2BiX cores. For R3Bi (1) intramolecular N -> Bi interactions of medium strength [Bi(1)-N(1) 3.214(7) angstrom] result in an overall distorted octahedral (C,N)(3)Bi core. In the monohalides 2-4 one nitrogen is strongly coordinated to bismuth trans to the halogen [range 2.571(8)-2.645(6) angstrom], while the second one is involved in a considerably weaker intramolecular N -> Bi interaction trans to a carbon atom [range 2.992(12)-3.170(8) angstrom]. The overall (C,N)(2)BiX (X = Cl, Br, I) core is distorted square-pyramidal. The NMR studies provided evidence for the presence of internal nitrogen-bismuth coordination in solution for RBiX2 species. DFT calculations were performed on the related compounds R'BiX2 [X = Cl (8), Br (9), and I (10)], R'2BiX [X = Cl (11), Br (12), and I (13)], and R'Bi-3 (14) [R' = 2-(Me2NCH2)C6H4] in order to elucidate the bond nature and vibrational spectroscopic features of this class of organobismuth(III) compounds. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：850 / 862
页数：13
相关论文
共 50 条
[31]   Synthesis and structures of zirconium complexes [Et2H2N]2+[ZrCl6]2-, [Me3NCH2Ph]2+[ZrCl6]2-•MeCN, [Ph3PC6H4(CHPh2-4)]2+[ZrCl6]2-•2 MeCN, and [Ph4Sb]2+[ZrCl6]2- [J].
Sharutin, V. V. ;
Sharutina, O. K. ;
Tarasova, N. M. ;
El'tsov, O. S. .
RUSSIAN CHEMICAL BULLETIN, 2019, 68 (01) :24-31
[32]   Weak η2-C-H•••Hg interactions. Crystal structures of Hg(II) 2-N substituted N-confused porphyrin: Hg(2-NCH2-p-C6H4-CH3-21-H-NCTPP)I and Hg(2-NCH2-p-C6H4-isoC3H7-21-H-NCTPP)I•C6H5CH3 [J].
Lin, Hsiang-Yin ;
Lin, Chun-Yeh ;
Chiu, Chun-Chia ;
Li, Hsueh-Ju ;
Chen, Jyh-Horung ;
Wang, Shin-Shin ;
Tung, Jo-Yu .
POLYHEDRON, 2017, 130 :30-39
[33]   Molecular Structures of RN(H)Py (R=2,4,6-Me3C6H2, 2,6-Et2C6H3, Ph3C), and the Copper Complex [Cu{(2,4,6-Me3C6H2)N(H)Py}2]BF4 [J].
Allen, John J. ;
Hamilton, Christopher E. ;
Barron, Andrew R. .
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2009, 39 (08) :573-580
[34]   Syntheses and crystal structures of tris(di-n-propylamino)-p-bromobenzyl-phosphonium bromides:: [(C3H7)2N]3PCH2C6H4Br+Br- and [(C3H7)2N]3PCH2C6H4Br+Br3- [J].
Nolte, J ;
Neubauer, P ;
Vogt, H ;
Meisel, M .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 1999, 54 (01) :113-116
[35]   Diorganogallium complexes containing tripodal Schiff bases: synthesis and structure of [N{Me2GaO(C6H4)CH=N-CH2-CH2-}3] [J].
Pal, Manoj K. ;
Kushwah, Nisha P. ;
Wadawale, Amey P. ;
Jain, Vimal K. .
JOURNAL OF CHEMICAL RESEARCH, 2010, (09) :485-488
[36]   Synthesis, spectra, and crystal structures of the triorganotin(IV) 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoates (Me3Sn{O2CC6H3-p-OH[N=N(C6H4-4-CH3)]})n, Et3Sn{O2CC6H3-p-OH[N=N(C6H4-4-CH3)]}OH2, and BZ3Sn{O2CC6H3-p-OH[N=N(C6H4-4-CH3)]} [J].
Baul, Tushar S. Basu ;
Rynjah, Wandondor ;
Song, Xueqing ;
Eng, George ;
Linden, Anthony .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2007, 692 (16) :3392-3399
[37]   Crystal Structures of the 1,2-Dihydroquinazolinium-4-yl Pd(II) Complexes [PdI{C=N(Xy)CH(R)NHC6H4-2}(CNXy)2]OTf (R = Me, CH = CH2, C6H4Me-4) and of the 2-Iminoaryl Pd(II) Complex [PdI(C6H4{N=C(H)C6H4Me-4}-2)(2,2'-bipyridine)] [J].
Jesus Martinez-Martinez, Antonio ;
Teresa Chicote, Maria ;
Bautista, Delia .
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2011, 41 (12) :1961-1967
[38]   Syntheses,SpectroscopicPropertiesandCrystalStructuresof（2-Cl-C6H4CH2）3SnS2CN(C5H10)and（2-Cl-C6H4CH2）3SnS2CN（C4H9N） [J].
YIN HanDong WANG ChuanHua XING QiuJuDepartment of ChemistryLiaocheng UniversityLiaocheng China .
结构化学, 2004, (10) :1127-1132+1090
[39]   STRUCTURAL INVESTIGATIONS OF 2 2-AMINO-5-NITROPYRIDINIUM SALTS - C5H6N3O2+NO3- AND (C5H6N3O2+)2CUCL4(2-) [J].
BAGIEUBEUCHER, M ;
MASSE, R ;
QUI, DT .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1991, 606 (15) :59-71
[40]   Structural Study of the Compounds Formed in the Reactions of FeCl3•6H2O with Ni(OH)2 in the Presence of Dithiolenes HSRSH (R = C6H2Cl2 or C6H4) [J].
Delgado, Esther ;
Hernandez, Elisa ;
Perez, Maria ;
Perles, Josefina ;
Zamora, Felix .
MOLECULES, 2020, 25 (09)
12345