First ICN adduct with a selenium donor (R = Se):: Is it an ionic [RSeCN]+I- or a "T-shaped" R(I)SeCN hypervalent compound?

被引：18

作者：

Aragoni, MC

Arca, M

Demartin, F

Devillanova, FA ^{[1
]}

Garau, A

Grimaldi, P

Isaia, F

Lelj, F

Lippolis, V

Verani, G

机构：

[1] Univ Cagliari, Dipartimento Chim Inorgan & Analit, I-09042 Cagliari, Italy

[2] Univ Milan, Dipartimento Chim Strutturale & Stereochim Inorga, I-20133 Milan, Italy

[3] Univ Milan, Ctr CNR, I-20133 Milan, Italy

[4] Univ Basilicata, LAMI, Dipartimento Chim, I-85100 Potenza, Italy

[5] Univ Basilicata, INSTM, LASCAMM, Sez Basilicata, I-85100 Potenza, Italy

来源：

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2004年 / 11期

关键词：

density functional calculations; donor-acceptor systems; ICN; hypervalent compounds; Se ligands;

D O I：

10.1002/ejic.200300762

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The reaction between 1,3-dimethyl-4-imidazoline-2-selone (2) and ICN gave the adduct 2(.)ICN, whose crystal structure features dimers made up of two [2(.)CN](+) and two I- which strongly interact. Hybrid DFT calculations on the adduct 2(.)ICN, on the cation [2(.)CN](+), and on the dimer (2(.)ICN)(2) account for a partially hypervalent selenium atom in 2(.)ICN and for the observed structural features. (C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.

引用

页码：2363 / 2368

页数：6

共 26 条

[1]

Akiba K-y., 1999, Chemistry of Hypervalent Compounds

[2]

[Anonymous], TRENDS INORG CHEM

[3]

Aragoni MC, 2001, CHEM-EUR J, V7, P3122, DOI 10.1002/1521-3765(20010716)7:14<3122::AID-CHEM3122>3.0.CO

[4]

2-H