Investigation of electron structure of 2,1,3-benzothiadiazole derivatives by means of negative ion mass spectrometry, photoelectron spectroscopy and absorption spectroscopy

✍ Scribed by Nail L. Asfandiarov; Vladimir S. Fal’ko; Alexey I. Fokin; Gennadii S. Lomakin; Nikolay M. Pozdeev; Oksana Yu. Podkopaeva; Yuriy V. Chizhov

• Publisher: John Wiley and Sons
• Year: 1998
• Tongue: English
• Weight: 264 KB
• Volume: 12
• Category: Article
• ISSN: 0951-4198
• DOI: 10.1002/(sici)1097-0231(19980529)12:10<595::aid-rcm201>3.0.co;2-y

✦ Synopsis

A series of 2,1,3-benzothiadiazole derivatives has been studied by means of electron capture negative ion mass spectrometry (ECNI-MS), photoelectron spectroscopy (PES), absorption spectroscopy and AM1 quantum chemical calculations. It has been shown that the low-energy H-atom detachment from molecular negative ions occurs due to excitation of the hindered internal rotation of an OH group. Interpretation of the observed resonant states of molecular negative ions has been facilitated by the AM1 calculations. All molecules under investigation produce long-lived molecular radical anions as the dominant channel of negative ion formation.