✦ LIBER ✦

Temperature effects in mass spectrometry. Estimation of thermal energies of organic molecules

✍ Scribed by Frantisek Turecek

Publisher: John Wiley and Sons
Year: 1991
Tongue: English
Weight: 608 KB
Volume: 26
Category: Article
ISSN: 1076-5174
DOI: 10.1002/oms.1210261208

No coin nor oath required. For personal study only.

✦ Synopsis

Thermal energies of gaseous organic molecules, relevant to unimolecular dissociations of odd-and evenelectron ions, are estimated by ub initio/RRHO and empirical calculations. Thermal energies can be estimated with good accuracy by integration of molar heat capacities obtained from quadratic least-squares fits. Thermal energies in gaseous n-alkanes, alkanols, cholesterol, polyethylene glycols and oligopeptides are calculated and compared with estimates based on the equipartition principle.

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