With the use of spectral information, a means is reported for evaluating and optimizing infrared (IR) interpretations. A procedure is described for numerically estimating the spectral difference between the interpreted IR spectrum and a synthetic spectrum composed of the characteristic subspectra of the functional groups in the interpretation. The expectation value assigned to each functional group by an interpreter can then be modified to minimize the estimated numerical differences and improve the quality of the interpretation.

PDF Article

Cited By

You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an OSA member, or as an authorized user of your institution.

Contact your librarian or system administrator
Login to access OSA Member Subscription