Тип публикации: статья из журнала

Год издания: 2021

Идентификатор DOI: 10.1038/s41598-021-83248-3

Аннотация: Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We inteПоказать полностьюrpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length. © 2021, The Author(s).

Журнал: Scientific Reports

Выпуск журнала: Vol. 11, Is. 1

Номера страниц: 4098

ISSN журнала: 20452322

Издатель: Nature Research

• Savchenko Viktoriia (KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia; Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia)
• Brumboiu Iulia Emilia (KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden; Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea)
• Kimberg Victor (KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia; Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia)
• Odelius Michael (Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden)
• Krasnov Pavel (Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia; Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia)
• Liu Ji-Cai (North China Elect Power Univ, Dept Math & Phys, Beijing 102206, Peoples R China)
• Rubensson Jan-Erik (Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden)
• Bjorneholm Olle (Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden)
• Sathe Conny (Lund Univ, MAX Lab 4, Box 118, S-22100 Lund, Sweden)
• Grasjo Johan (Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden; Uppsala Univ, Dept Med Chem, Box 574, S-75123 Uppsala, Sweden)
• Dong Minjie (Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden)
• Pietzsch Annette (Helmholtz Zentrum Berlin Mat & Energie, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany)
• Foehlisch Alexander (Helmholtz Zentrum Berlin Mat & Energie, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany; Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany)
• Schmitt Thorsten (Paul Scherrer Inst, Photon Sci Div, Swiss Light Source, CH-5232 Villigen, Switzerland)
• McNally Daniel (Paul Scherrer Inst, Photon Sci Div, Swiss Light Source, CH-5232 Villigen, Switzerland)
• Lu Xingye (Paul Scherrer Inst, Photon Sci Div, Swiss Light Source, CH-5232 Villigen, Switzerland)
• Polyutov Sergey P. (Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia; Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia)
• Norman Patrick (KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden)
• Iannuzzi Marcella (Univ Zurich, Phys Chem Inst, CH-8057 Zurich, Switzerland)
• Gel'mukhanov Faris (KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden; Siberian Fed Univ, Int Res Ctr Spect & Quantum Chem IRC SQC, Krasnoyarsk 660041, Russia; Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia)
• Ekholm Victor (Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden; Lund Univ, MAX Lab 4, Box 118, S-22100 Lund, Sweden)

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