1887

n Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie - Chloro-karboniel vastetoestand-wanordebepaling in Vaska tipe komplekse - oorsproklike navorsing

Volume 38 Number 1
  • ISSN : 0254-3486
  • E-ISSN: 2222-4173

Abstract

‘n Ondersoek na die effek van gemengde feniel-sikloheksiel gesubstitueerde ariel tersiêre fosfiene op die vastetoestandwanorde van die Cl–Rh–CO-groep in Vaska-tipe komplekse trans-[M(CO)Cl(PPhnCy3-n)2], waar M = Rh(I) of Ir(I), Ph = C6H5, Cy = C6H11 en n = 1 of 2, word aangebied. Enkelkristal X-straalstrukture van 4 voorbeelde van die reeks word geraporteer en vergelyk met verwante strukture wat dikwels die wanorde van die Cl–Rh–CO-groep, wat deur kristallografiese simmetrie beheer word, openbaar. Digtheids funksionele teorie (DFT) geometrie-optimalisering en energieberekenings op konformere van hierdie komplekse dui aan dat die wanorde waarskynlik is. ‘n Onverwagte vastetoestandwanorde tussen feniel- en sikloheksielsubstituente van die fosfiene word ook bespreek.

Chloro-carbonyl disorder determination in Vaska-type complexes: An investigation into the effect of mixed phenyl-cyclohexyl substituted aryl tertiary phosphines on the disorder of the Cl–Rh–CO moiety in Vaska-type complexes trans-[M(CO)Cl(PPhnCy3-n)2], where M = Rh(I) or Ir(I), Ph = C6H5, Cy = C6H11 and n = 1 or 2, is presented. Single crystal X-ray analysis of four examples of the series is reported and compared with related structures which often reveal disorder of the Cl–Rh–CO moiety, governed by crystallographic symmetry. DFT geometry optimisations and energy calculations on conformers of these complexes are within reasonable agreement that the disorder is likely. An unexpected disorder between phenyl and cyclohexyl substituents of the phosphines is also discussed.

Loading full text...

Full text loading...

Loading

Article metrics loading...

/content/journal/10520/EJC-1c95d2e140
2020-04-22
2020-07-05

This is a required field
Please enter a valid email address
Approval was a Success
Invalid data
An Error Occurred
Approval was partially successful, following selected items could not be processed due to error