Intramolecular non-bonded interaction between selenium and oxygen as revealed by O-17 and Se-77 NMR spectroscopy and natural bond orbital analysis

Authors
Komatsu, H Iwaoka, M Tomoda, S
Citation
H. Komatsu et al., Intramolecular non-bonded interaction between selenium and oxygen as revealed by O-17 and Se-77 NMR spectroscopy and natural bond orbital analysis, CHEM COMMUN, (2), 1999, pp. 205-206
Citations number
25
Categorie Soggetti
Chemistry
Journal title
CHEMICAL COMMUNICATIONS
ISSN journal
13597345 → ACNP
Issue
2
Year of publication
1999
Pages
205 - 206
Database
ISI
SICI code
1359-7345(19990121):2<205:INIBSA>2.0.ZU;2-1
Abstract
O-17 and Se-77 NMR spectroscopic measurement and natural bond orbital (NBO) analysis of 2-formyl- and 2-hydroxymethyl-benzeneselenenyl derivatives (Ar SeX; X = Cl, Br, CN, SPh, SeAr, Me: Ar = C6H4CHO, C6H4CH2OH) provided stron g evidence for the intramolecular non-bonded interaction between selenium a nd oxygen due to orbital interaction between the oxygen lone pair and the l ow-lying sigma(SeX)* antibonding orbital (n(O) --> sigma(SeX)*).