Publication:
Revisiting Bond Breaking and Making in EuCo 2 P 2 : Where are the Electrons?

Дата
2019
Авторы
Yannello, V.
Guillou, F.
Tener, Z. P.
Wilhelm, F.
Yaroslavtsev, A. A.
Journal Title
Journal ISSN
Volume Title
Издатель
Научные группы
Организационные подразделения
OrgUnit Logo
Организационная единица
Институт лазерных и плазменных технологий
Стратегическая цель Института ЛаПлаз – стать ведущей научной школой и ядром развития инноваций по лазерным, плазменным, радиационным и ускорительным технологиям, с уникальными образовательными программами, востребованными на российском и мировом рынке образовательных услуг.
Выпуск журнала
Аннотация
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim X-ray absorption spectroscopy (XAS) was used to elucidate changes in the electronic structure caused by the pressure-induced structural collapse in EuCo 2 P 2 . The spectral changes observed at the L 3 -edge of Eu and K-edges of Co and P suggest electron density redistribution, which contradicts the formal charges calculated from the commonly used Zintl–Klemm concept. Quantum-chemical calculations show that, despite the increase in the oxidation state of Eu and the formation of a weak P−P bond in the high-pressure phase, the electron transfer from the Eu 4f orbitals to the hybridized 5d and 6s states causes strengthening of the Eu−P and P−P bonds. These changes explain the increased electron density on P atoms, deduced from the P K-edge XAS spectra. This work shows that the formal electron counting schemes do not provide an adequate description of changes associated with phase transitions in metallic systems with substantial mixing of the electronic states.
Описание
Ключевые слова
Цитирование
Revisiting Bond Breaking and Making in EuCo 2 P 2 : Where are the Electrons? / Yannello, V. [et al.] // Chemistry - A European Journal. - 2019. - 25. - № 23. - P. 5865-5869. - 10.1002/chem.201900244
URI
https://www.doi.org/10.1002/chem.201900244
 https://www.scopus.com/record/display.uri?eid=2-s2.0-85064947768&origin=resultslist
 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000467184600004
 https://openrepository.mephi.ru/handle/123456789/16942
Коллекции
Публикации