Electron attachment to the interhalogen compounds ClF, ICl, and IBr

نویسندگان

  • Ilya Fabrikant
  • Justin P. Wiens
  • Jordan C. Sawyer
  • Thomas M. Miller
  • Nicholas S. Shuman
  • Albert A. Viggiano
  • Marjan Khamesian
  • Viatcheslav Kokoouline
  • Ilya I. Fabrikant
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Relativistic and correlation effects on molecular properties: The interhalogens CIF, BrF, BrCl, IF, ICl, and IBr

The effect of relativity on the properties of the interhalogens ClF, BrF, BrCl, IF, IBr, and IBr is studied by comparing relativistic and nonrelativistic calculations. Bond lengths, harmonic frequencies, and dissociation energies show that the bond is weakened in the relativistic formalism. Relativity increases the electric dipole moment whereas the electric quadrupole moment and dipole polariz...

متن کامل

Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICl.

We present for the first time a coherent ab initio study of 39 states of valence, Rydberg, and ion-pair character of the diatomic interhalogen ICl species through large scale multireference variational methods including spin-orbit effects coupled with quantitative basis sets. Various avoided crossings are responsible for a non-adiabatic behaviour creating a wonderful vista for its theoretical d...

متن کامل

Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O).

Accurate 0 K enthalpies have been calculated for reactions of mercury with a series of small iodine-containing molecules (I2, IBr, ICl, and IO). The calculations have been carried out with the coupled cluster singles and doubles method with a perturbative correction for connected triple excitations [CCSD(T)] using sequences of correlation consistent basis sets and accurate relativistic pseudopo...

متن کامل

The van der Waals potential energy surfaces and structures of He–ICl and Ne–ICl clusters

The potential energy surfaces of the ground electronic state of rare gas interhalogen van der Waals molecules, Rg–ICl ~Rg5He, Ne!, are calculated at CCSD~T! ~coupled cluster using single and double excitations with a noniterative perturbation treatment of triple excitations! level of theory. Calculations have been performed with specific augmented correlation consistent basis sets for the noble...

متن کامل

Identification and Functional Characterization of Arabidopsis icl Mutant Under Trehalose Feeding in Light and Dark Conditions

Trehalose is a non-reducing sugar that plays an important role in plant growth and development. To study the role of trehalose on lipid metabolism and gluconeogenesis, Arabidopsis thaliana wild type (WT) and TreF (a line expressing trehalase) were grown on ½ MS medium with or without 100 mM sucrose and or trehalose in light or continuous darkness. In dark, trehalose leads skotomorphoge...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2017