메뉴 건너뛰기




Volumn 16, Issue 24, 1997, Pages 4209-4215

Synthesis and structure of novel heterocyclic aminotelluranes

Author keywords

125TeNMR; Ab initio calculations; Mannich bases; Oxatellurazines; Tetravalent tellurium; Tridentate ligands

Indexed keywords


EID: 0041194653     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0277-5387(97)00269-6     Document Type: Article
Times cited : (1)

References (30)
  • 13
    • 85033077351 scopus 로고    scopus 로고
    • A detailed account of the temperature dependent NMR analysis will be reported elsewhere
    • A detailed account of the temperature dependent NMR analysis will be reported elsewhere
  • 27
    • 85033087062 scopus 로고    scopus 로고
    • note
    • The STO-3G, being a minimal basis-set, gives only an approximate description of the electron density distribution of the molecule. Nevertheless, it is the only 'standard', all electron basis set which includes 4th row elements such as tellurium. The SBK, an ECP basis-set, which is believed to give a better description of the valence electrons, does not treat the core electrons explicitly, but rather approximates them via an 'effective core potential'. Hence we felt the need to quote the results of each method. The STO-3G geometry, while probably cruder than that of the SBK, shows a similar bent structure (O(1)-Te-O(2) angle), and its conformational energy is very close. In any case the conclusions regarding the relative thermodynamic stabilities of the two isomers are the same.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.