INVESTIGADORES
ENRIZ Ricardo Daniel
artículos
Título:
Dynamic chirality in selected diaryl methane containing drugs. An exploratory ab initio conformational study
Autor/es:
S. VILLAGRA; M.SANTILLAN; A.M.RODRIGUEZ; G.CHASSE; M FREILE; S.ZACCHINO; P.MATYUS; ENRIZ R.D.
Revista:
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2001 vol. 549 p. 217 - 228
ISSN:
0166-1280
Resumen:
Diaryl methane molecules (Ar?CH2?Ar) represent double rotor conformational problems. The simplest diaryl methane, diphenyl methane (Ph?CH2?Ph), governs certain symmetric conformational potential energy surface (PES) topology. With the replacement of one of the phenyl groups by a heterocyclic moiety, the PES topology may change dramatically. The induction of point-chirality, in the prochiral CH2 group, by axis-chirality or plane-chirality is explored within the framework of ?dynamic chirality?
