caa a22 4500 469038063 CHVBK 20180323132801.0 cr unu---uuuuu 170328e19921201xx s 000 0 eng 10.1007/BF00808276 doi (NATIONALLICENCE)springer-10.1007/BF00808276 Weissensteiner W. Institut für Organische Chemie, Universität Wien, A-1090, Wien, Austria aut Correlated rotation of aryl substituents in diarylmethyl-, diarylphosphine- and related fragments. An empirical force field study [Elektronische Daten] [W. Weissensteiner] Korrelierte Rotation von Arylringen in Diarylmethyl-, Diarylphosphin- und verwandten Fragmenten. Eine Untersuchung mit Hilfe der empirischen Kraftfeldmethode Summary: Ground state structures and conformational interconversion mechanisms of 25 diaryl compoundsAr 2 Z (Z=CH2, CHR, CH(OH), P-CH3) were analyzed. For tetra(ortho-alkyl)substituted diaryls the cogwheeling mechanism was found as the threshold mechanism. A shift from the cogwheeling mechanism to interconversions via 2-ring flips is found in di(ortho-alkyl)substituted compounds. The ground state structures and interconversion mechanisms of diarylmethylphosphines are very similar to those of the related 1,1-diarylethanes. The interconversion barrier for correlated conrotation of the aryl rings in di(tert-butylphenyl)methanol (20) was measured by low temperature NMR and is in excellent agreement with the calculated value for the 2-ring flipT″2 (ΔG≠ (exp.)=48 kJ mol−1; ΔG≠ (calc.)=54 kJ mol−1). Springer-Verlag, 1992 Flip mechanisms nationallicence Threshold mechanism nationallicence Conformational interconversion nationallicence Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/12(1992-12-01), 1135-1147 0026-9247 123:12<1135 1992 123 706 https://doi.org/10.1007/BF00808276 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00808276 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Weissensteiner W. Institut für Organische Chemie, Universität Wien, A-1090, Wien, Austria aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/12(1992-12-01), 1135-1147 0026-9247 123:12<1135 1992 123 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer