KCS Publications

HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 14, Number 1
BKCSDE 14(1)
January 20, 1993

Title	Theoretical Study of the Cobalt Substituting Site in the Framework of AlPO4-5 Molecular Sieves
Author	Sang Joon Choe*, Dong Ho Park, Do Sung Huh
Keywords
Abstract	In order to determine the cobalt substituting site in AlP04-5 framework, ASED-MO theory has been used. The substitution of cobalt for aluminum is energetically more favorable than that for phasphorous. The stabilized energy of the former is 51 eV lower than that of the latter. The calculated net charge was + 1.27 for Al, + 0.85 for P, and + 1.56 for Co, respectively. The valence electron population (VEP), reduced overlap population (ROP) and net charge for the charged cluster models were compared for AlPO4-5 and CoAlPO4-5 systems. Then, twe find that the covalency of P-O bond was greater than that of Al-O bond.
Page	55 - 58
Full Text	PDF

How to access to the WOL for The Bulletin of the Korean Chemical Society ?

The Bulletin of the Korean Chemical Society will be co-published with Wiley-VCH from 2015 towards. The online version of the Journal will thus be available on Wiley Online Library, Wiley(-VCH)'s global online platform.

KCS members can get a free online access to the Bulletin of the Korean Chemical Society in WOL.

Free Access to WOL