Preparation and crystal structure of the tetramethylammonium thiocyanate sulfur dioxide adduct, (CH3)(4)N+SCN-center dot SO2 | Health & Environmental Research Online (HERO)

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Citation
Tags

HERO ID

1712621

Reference Type

Journal Article

Title

Preparation and crystal structure of the tetramethylammonium thiocyanate sulfur dioxide adduct, (CH3)(4)N+SCN-center dot SO2

Author(s)

Kornath, A; Blecher, O; Ludwig, R

Year

2000

Is Peer Reviewed?

Journal

Zeitschrift fuer Anorganische und Allgemeine Chemie
ISSN: 0044-2313

Volume

626

Issue

Page Numbers

731-735

Web of Science Id

WOS:000086015400025

Abstract

Tetramethylammonium thiocyanate reacts with sulfur dioxide under formation of tetramethylammonium thiocyanate sulfur dioxide adduct. The resulting salt is characterised by NMR and vibrational spectroscopy and its crystal structure. (CH3)(4)N+SCN- . SO2 crystallizes in the monoclinic space group P2(1)/c with a = 578.4(1) pm, b = 1634.3(1) pm, c = 1054.6(1) pm, beta = 105.17(1)degrees, and four formula units in the unit cell. The crystal structure possesses a strong S-S interaction between the NCS- anion and the SO2 molecule. The NCS-SO2 distance of 301.02(9) pm is longer than a covalent single bond, thus the compound is rather described as an adduct. The structure is compared with ab initio calculated data.

Keywords

sulfites; sulfur dioxide adducts; crystal structure; vibrational spectroscopy; thiocyanates