The ClSeNSeCl+ cation. An unusual structurally very flexible ion adopting different solid-state structures as deduced by x-ray and ab initio methods

1993 ◽  
Vol 32 (25) ◽  
pp. 5734-5738 ◽  
Author(s):  
Matthias Broschag ◽  
Thomas M. Klapoetke ◽  
Axel Schulz ◽  
Peter S. White
2007 ◽  
Vol 62 (10) ◽  
pp. 1339-1342 ◽  
Author(s):  
Surajit Jana ◽  
Tania Pape ◽  
Norbert W. Mitzel

The reaction of dimethylcadmium with alcohols R-OH in equimolar ratio leads to the formation of tetrameric methylcadmium alkoxides with molecular formula [(MeCd)4 (OR)4] [R = Me (1), Et (2) and iPr (3)]. These compounds have been characterised by 1H, 13C NMR and IR spectroscopy, by mass spectrometry, elemental analyses and by X-ray crystallography (for 2 and 3). The solid state structures show distorted cubane-type aggregates with Cd4O4 cores. The structural aspects and the spectroscopic characterisations of these compounds are discussed.


2016 ◽  
Vol 52 (66) ◽  
pp. 10144-10146 ◽  
Author(s):  
Felix Hanke ◽  
Sarah Hindley ◽  
Anthony C. Jones ◽  
Alexander Steiner

X-ray structures and DFT calculations show that the HT phase is of Me2Cd is two-dimensionally disordered, while the LT phase is ordered. Both phases contain linearly coordinated cadmium atoms; methyl groups are staggered in the HT form and eclipsed in the LT-form.


2019 ◽  
Vol 21 (19) ◽  
pp. 10070-10074 ◽  
Author(s):  
Kartik Pilar ◽  
Zeyu Deng ◽  
Molleigh B. Preefer ◽  
Joya A. Cooley ◽  
Raphaële Clément ◽  
...  

The complete 31P NMR chemical shift tensors for 22 inorganic phosphates obtained from ab initio computation are found to correspond closely to experimentally obtained parameters. The cases where correspondence is significantly improved upon geometry optimization point to the crystal structures requiring correction.


Molecules ◽  
2020 ◽  
Vol 25 (23) ◽  
pp. 5745
Author(s):  
Sergey A. Anufriev ◽  
Sergey V. Timofeev ◽  
Alexei A. Anisimov ◽  
Kyrill Yu. Suponitsky ◽  
Igor B. Sivaev

Complexation of the 8,8′-bis(methylsulfanyl) derivatives of cobalt and iron bis(dicarbollides) [8,8′-(MeS)2-3,3′-M(1,2-C2B9H10)2]− (M = Co, Fe) with copper, silver, palladium and rhodium leads to the formation of the corresponding chelate complexes, which is accompanied by a transition from the transoid to the cisoid conformation of the bis(dicarbollide) complex. This transition is reversible and can be used in design of coordination-driven molecular switches based on transition metal bis(dicarbollide) complexes. The solid-state structures of {(Ph3P)ClPd[8,8′- (MeS)2-3,3′-Co(1,2-C2B9H10)2-κ2-S,S′]} and {(COD)Rh[8,8′-(MeS)2-3,3′-Co(1,2-C2B9H10)2-κ2-S,S′]} were determined by single crystal X-ray diffraction.


2019 ◽  
Vol 48 (11) ◽  
pp. 3551-3554 ◽  
Author(s):  
Antonio J. Martínez-Martínez ◽  
Andrew S. Weller

We report an alternative, improved, multigram scale (∼20 g, 60–70% yield) preparation of solvent-free anhydrous Li[BArF4], Na[BArF4] and K[BArF4], and the corresponding single-crystal X-ray characterisation of [Li(H2O)][BArF4], Na[BArF4]˙ and K[BArF4].


2003 ◽  
Vol 654 (1-3) ◽  
pp. 61-69 ◽  
Author(s):  
Borys Ośmiałowski ◽  
Katri Laihia ◽  
Elina Virtanen ◽  
Maija Nissinen ◽  
Erkki Kolehmainen ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document