Theoretical and Experimental Aspects of VCD Spectroscopy

* in conjunction with ISCD-25 2013

Location and Date:

Saturday, July 6, 2013

Venue:

ShanghaiinstituteofOrganic Chemistry

Learn From Experts in the Field:

§    Underlying principles and function of VCD instrumentation,hands-onwith ChiralIR-2X? spectrometer

§    Sample preparation: best approaches

§    Instrument settings and optimization

§    Data collection and handling – liquids and solids

§    Calculating theoretical VCD/ROA spectra;, hands-on with ComputeVOA? and Gaussian

§    Confidence of assignment using CompareVOA? software: going beyond human-eye comparison

§    Troubleshooting: how to get it right?

Instructors:

§    Prof. Laurence A. Nafie,SyracuseUniversity

§    Dr. James Cheeseman, Gaussian

§Dr. Rina Dukor, BioTools, Inc.

§Prof. Huajie Zhu(Jack)  - HebeiUniveristy

Agenda:

8:30 - 9:00 - registration and coffee

9:00 - 10:00 - Introduction to VCD -  Prof. Laurence A. Nafie

10:00 - 10:45 - Practical Approached to getting VCD spectra - Dr. Rina Dukor and Prof. Huajie Zhu(Jack)

10:45 - 11:15 - coffee break

11:15 - 12:15 - Dr. Jim Cheeseman - chiroptical properties in Gaussian and how to calculate spectra

12:30 - 1:30 - lunch

1:30 - 4:30  -hands-on with instrument and calculations

(two groups alternate between instrument and calculations)

Registration:

To register, please email Jenny Qi of DHS Instruments -jenny@dhsi.com.cn