3603-86-9Relevant articles and documents
Absolute configuration of trans-perhydroazulene
Becker, Jonathan,Gerbig, Dennis,Saito, Fumito,Schreiner, Peter R.
supporting information, p. 3895 - 3899 (2020/06/08)
We present the absolute configuration (AC) determination of an alkane, trans-perhydroazulene (1), that displays the naturally very common trans fused [5,7] ring system. We outline the first synthesis yielding enantiopure 1 and the application of optical rotatory dispersion (ORD) and vibrational circular dichroism (VCD) techniques. The spectroscopic results are in excellent agreement with the computed ORD at B3LYP/6-311++G(2d,2p) and the computed VCD spectrum at B3LYP/6-311++G(d,p), providing an assignment of the AC as (R,R)-(+)-1.