On-Line Infrared (IR) Spectral Interpretation Of Organic Compounds Using A Fourier Transform (FT) Sized Minicomputer

Sterling Tomellini; Graham Smith; Hugh Woodruff; David Saperstein; James Stevenson; Paul Seelig

doi:10.1117/12.932183

29 October 1981 On-Line Infrared (IR) Spectral Interpretation Of Organic Compounds Using A Fourier Transform (FT) Sized Minicomputer

Sterling Tomellini, Graham Smith, Hugh Woodruff, David Saperstein, James Stevenson, Paul Seelig

Author Affiliations +

Proceedings Volume 0289, 1981 Intl Conf on Fourier Transform Infrared Spectroscopy; (1981) https://doi.org/10.1117/12.932183
Event: 1981 International Conference on Fourier Transform Infrared Spectroscopy, 1981, Columbia, United States

Abstract

There are now several commercially available computer routines for identifying unknowns by a spectral search and match procedure. These routines work well if the match is perfect, however they can be frustrating when the data base does not contain the unknown as one of its entries. An alternative method for identifying an unknown is to establish the IR active funtionalities that are presnt. This can be done by a classification-matching method or by an interpretation method that tries to mimic how the chemist/spectroscopist thinks. The latter has been discussed in several papers and forms the starting point for our studies.

Citation Download Citation

Sterling Tomellini, Graham Smith, Hugh Woodruff, David Saperstein, James Stevenson, and Paul Seelig "On-Line Infrared (IR) Spectral Interpretation Of Organic Compounds Using A Fourier Transform (FT) Sized Minicomputer", Proc. SPIE 0289, 1981 Intl Conf on Fourier Transform Infrared Spectroscopy, (29 October 1981); https://doi.org/10.1117/12.932183

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available