Metal carbonyl complexes of potentially ambidentate 2,1,3-benzothiadiazole and 2,1,3-benzoselenadiazole acceptors

被引：8

作者：

Plebst, Sebastian ^{[1
]}

Bubrin, Martina ^{[1
]}

Schweinfurth, David ^{[1
]}

Zalis, Stanislav ^{[2
]}

Kaim, Wolfgang ^{[1
]}

机构：

[1] Univ Stuttgart, Inst Anorgan Chem, Pfaffenwaldring 55, D-70550 Stuttgart, Germany

[2] Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, Vvi, Dolejskova 3, CZ-18223 Prague, Czech Republic

来源：

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES | 2017年 / 72卷 / 11期

关键词：

benzoselenadiazole; coordination preference; crystal structure; metal carbonyls; PENTACARBONYL COMPLEXES; COORDINATION CHEMISTRY; BASIS-SETS; LIGANDS; BENZOSELENADIAZOLE; BENZOTHIADIAZOLE; DERIVATIVES; TUNGSTEN; DONOR; TCNQ;

D O I：

10.1515/znb-2017-0100

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The compounds [W(CO)(5)(btd)], [W(CO)(5)(bsd] and [Re(CO)(3)(bpy)(bsd)](BF4), btd = 2,1,3-benzothiadiazole and bsd = 2,1,3-benzoselenadiazole were isolated and characterized experimentally (crystal structure, spectroscopy, spectroelectrochemistry) and by density functional theory calculations. The results confirm single N-coordination in all cases, binding to Se was calculated to be less favorable. Studies of one-electron reduced forms indicate that the N-coordination is maintained during electron transfer.

引用

页码：839 / 846

页数：8

共 36 条

[1] Toward reliable density functional methods without adjustable parameters: The PBE0 model [J].

Adamo, C ;

Barone, V .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (13) :6158-6170

[2] ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS [J].

ANDRAE, D ;

HAUSSERMANN, U ;

DOLG, M ;

STOLL, H ;

PREUSS, H .

THEORETICA CHIMICA ACTA, 1990, 77 (02) :123-141

[3] Iridium complexes with 2,1,3-benzothiadiazole and related ligands [J].

Bashirov, Denis A. ;

Sukhikh, Taisiya S. ;

Kuratieva, Natalia V. ;

Naumov, Dmitry Yu. ;

Konchenko, Sergey N. ;

Semenov, Nikolay A. ;

Zibarev, Andrey V. .

POLYHEDRON, 2012, 42 (01) :168-174

[4] Variable reduction sequences for axial (L) and chelate ligands (N∧N) in rhenium(I) complexes [(N∧N)Re(CO)3(L)]n [J].

Berger, S ;

Klein, A ;

Kaim, W .

INORGANIC CHEMISTRY, 1998, 37 (21) :5664-5671

[5] Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model [J].

Cossi, M ;

Rega, N ;

Scalmani, G ;

Barone, V .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (06) :669-681

[6]

Frisch M.J., 2016, Gaussian, V16

[7] STRUCTURE OF A PLANAR ORGANIC-COMPOUND - 2,1,3-BENZOSELENADIAZOLE (PIASELENOLE) [J].

GOMES, AC ;

BISWAS, G ;

BANERJEE, A ;

DUAX, WL .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1989, 45 :73-75

[8] Oxidation and reduction response of α-diimine complexes with tricarbonylrhenium halides and pseudohalides [J].

Grupp, Anita ;

Bubrin, Martina ;

Ehret, Fabian ;

Kvapilova, Hana ;

Zalis, Stanislav ;

Kaim, Wolfgang .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2014, 751 :678-685

[9]

HANSON RH, 1971, INORG NUCL CHEM LETT, V7, P467, DOI 10.1016/0020-1650(71)80185-X

[10] VERSATILE CRYOSTATED OPTICALLY TRANSPARENT THIN-LAYER ELECTROCHEMICAL (OTTLE) CELL FOR VARIABLE-TEMPERATURE UV-VIS IR SPECTROELECTROCHEMICAL STUDIES [J].

HARTL, F ;

LUYTEN, H ;

NIEUWENHUIS, HA ;

SCHOEMAKER, GC .

APPLIED SPECTROSCOPY, 1994, 48 (12) :1522-1528

← 1 2 3 4 →