Anomalous Behavior of Heat Capacity in Ni2(bdc)2(dabco). Schottky Anomaly and Spin-Phonon Interaction

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Anomalous Behavior of Heat Capacity in Ni₂(bdc)₂(dabco). Schottky Anomaly and Spin-Phonon Interaction. / Kozlova, Svetlana G.; Pishchur, Denis P.; Kompankov, Nikolay B. et al.

In: Journal of Physical Chemistry C, Vol. 124, No. 37, 17.09.2020, p. 20222-20227.

Research output: Contribution to journal › Article › peer-review

Harvard

Kozlova, SG, Pishchur, DP, Kompankov, NB, Shayapov, VR & Samsonenko, DG 2020, 'Anomalous Behavior of Heat Capacity in Ni₂(bdc)₂(dabco). Schottky Anomaly and Spin-Phonon Interaction', Journal of Physical Chemistry C, vol. 124, no. 37, pp. 20222-20227. https://doi.org/10.1021/acs.jpcc.0c05999

APA

Kozlova, S. G., Pishchur, D. P., Kompankov, N. B., Shayapov, V. R., & Samsonenko, D. G. (2020). Anomalous Behavior of Heat Capacity in Ni₂(bdc)₂(dabco). Schottky Anomaly and Spin-Phonon Interaction. Journal of Physical Chemistry C, 124(37), 20222-20227. https://doi.org/10.1021/acs.jpcc.0c05999

Vancouver

Kozlova SG, Pishchur DP, Kompankov NB, Shayapov VR, Samsonenko DG. Anomalous Behavior of Heat Capacity in Ni₂(bdc)₂(dabco). Schottky Anomaly and Spin-Phonon Interaction. Journal of Physical Chemistry C. 2020 Sept 17;124(37):20222-20227. doi: 10.1021/acs.jpcc.0c05999

Author

Kozlova, Svetlana G. ; Pishchur, Denis P. ; Kompankov, Nikolay B. et al. / Anomalous Behavior of Heat Capacity in Ni₂(bdc)₂(dabco). Schottky Anomaly and Spin-Phonon Interaction. In: Journal of Physical Chemistry C. 2020 ; Vol. 124, No. 37. pp. 20222-20227.

BibTeX

@article{916770a68b054ee69f1afc723e3179f9,

title = "Anomalous Behavior of Heat Capacity in Ni2(bdc)2(dabco). Schottky Anomaly and Spin-Phonon Interaction",

abstract = "Temperature dependence of molar heat capacity of Ni2(bdc)2(dabco) was first measured by the method of vacuum adiabatic calorimetry in the temperature region of 5-295 K. A heat capacity anomaly was discovered above 60 K. The analysis of the electronic structure of a dimeric complex Ni2(O2C-)4 testifies that the observed anomaly is the Schottky anomaly caused by thermal excitation of d electrons of Ni2+(3d8) ions. The experimental heat capacity values in the vicinity of the maximum of the Schottky anomaly exceed its calculated values by {\^a} 10%. This fact is explained by the spin-lattice interaction between d electrons of Ni2+ ions and lattice vibrations of Ni-DMOF (Ni2(bdc)2(dabco)). The obtained experimental Cp values were used to calculate standard thermodynamic functions (heat capacity, enthalpy, and entropy) of the studied compound. ",

keywords = "METAL-ORGANIC FRAMEWORKS, PHASE-TRANSITIONS, NI, ZN, CU, CO, STORAGE",

author = "Kozlova, {Svetlana G.} and Pishchur, {Denis P.} and Kompankov, {Nikolay B.} and Shayapov, {Vladimir R.} and Samsonenko, {Denis G.}",

year = "2020",

month = sep,

day = "17",

doi = "10.1021/acs.jpcc.0c05999",

language = "English",

volume = "124",

pages = "20222--20227",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "37",

}

RIS

TY - JOUR

T1 - Anomalous Behavior of Heat Capacity in Ni2(bdc)2(dabco). Schottky Anomaly and Spin-Phonon Interaction

AU - Kozlova, Svetlana G.

AU - Pishchur, Denis P.

AU - Kompankov, Nikolay B.

AU - Shayapov, Vladimir R.

AU - Samsonenko, Denis G.

PY - 2020/9/17

Y1 - 2020/9/17

N2 - Temperature dependence of molar heat capacity of Ni2(bdc)2(dabco) was first measured by the method of vacuum adiabatic calorimetry in the temperature region of 5-295 K. A heat capacity anomaly was discovered above 60 K. The analysis of the electronic structure of a dimeric complex Ni2(O2C-)4 testifies that the observed anomaly is the Schottky anomaly caused by thermal excitation of d electrons of Ni2+(3d8) ions. The experimental heat capacity values in the vicinity of the maximum of the Schottky anomaly exceed its calculated values by â 10%. This fact is explained by the spin-lattice interaction between d electrons of Ni2+ ions and lattice vibrations of Ni-DMOF (Ni2(bdc)2(dabco)). The obtained experimental Cp values were used to calculate standard thermodynamic functions (heat capacity, enthalpy, and entropy) of the studied compound.

AB - Temperature dependence of molar heat capacity of Ni2(bdc)2(dabco) was first measured by the method of vacuum adiabatic calorimetry in the temperature region of 5-295 K. A heat capacity anomaly was discovered above 60 K. The analysis of the electronic structure of a dimeric complex Ni2(O2C-)4 testifies that the observed anomaly is the Schottky anomaly caused by thermal excitation of d electrons of Ni2+(3d8) ions. The experimental heat capacity values in the vicinity of the maximum of the Schottky anomaly exceed its calculated values by â 10%. This fact is explained by the spin-lattice interaction between d electrons of Ni2+ ions and lattice vibrations of Ni-DMOF (Ni2(bdc)2(dabco)). The obtained experimental Cp values were used to calculate standard thermodynamic functions (heat capacity, enthalpy, and entropy) of the studied compound.

KW - METAL-ORGANIC FRAMEWORKS

KW - PHASE-TRANSITIONS

KW - NI

KW - ZN

KW - CU

KW - CO

KW - STORAGE

UR - http://www.scopus.com/inward/record.url?scp=85095791712&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.0c05999

DO - 10.1021/acs.jpcc.0c05999

M3 - Article

AN - SCOPUS:85095791712

VL - 124

SP - 20222

EP - 20227

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 37

ER -

ID: 25993835