Freezing of molecular rotation in a paramagnetic crystal studied by P-31 NMR

doi:10.1103/PhysRevB.103.014428

	Freezing of molecular rotation in a paramagnetic crystal studied by P-31 NMR
	Opherden, D.2,3,4; Baertl, F.2,3,4; Yamamoto, Sh 2,3; Zhang, Z. T.2,3,5; Luther, S.2,3,4; Molatta, S.2,3,4; Wosnitza, J.2,3,4; Baenitz, M.6; Heinmaa, I 7; Stern, R.7
刊名	PHYSICAL REVIEW B
	2021-01-19
卷号	103
ISSN号	2469-9950
DOI	10.1103/PhysRevB.103.014428
通讯作者	Opherden, D.(d.opherden@hzdr.de) ; Kuehne, H.(h.kuehne@hzdr.de)
英文摘要	We present a detailed (31)p nuclear magnetic resonance (NMR) study of the molecular rotation in the compound [Cu(pz)(2)(2-HOpy)(2)](PF6)(2), where pz = C4H4N2 and 2-HOpy = C5H4NHO. Here, a freezing of the PF 6 rotation modes is revealed by several steplike increases of the temperature-dependent second spectral moment, with accompanying broad peaks of the longitudinal and transverse nuclear spin-relaxation rates. An analysis based on the Bloembergen-Purcell-Pound (BPP) theory quantifies the related activation energies as E-a/k(B) = 250 and 1400 K. Further, the anisotropy of the second spectral moment of the P-31 absorption line was calculated for the rigid lattice, as well as in the presence of several sets of PF6 reorientation modes, and is in excellent agreement with the experimental data. Whereas the anisotropy of the frequency shift and enhancement of nuclear spinrelaxation rates is driven by the molecular rotation with respect to the dipole fields stemming from the Cu ions, the second spectral moment is determined by the intramolecular interaction of nuclear F-19 and P-31 moments in the presence of the distinct rotation modes.
资助项目	Deutsche Forschungsgemeinschaft (DFG)[SFB 1143] ; Deutsche Forschungsgemeinschaft (DFG)[GRK 1621] ; Wurzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter-ct.qmat[EXC 2147] ; Wurzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter-ct.qmat[390858490] ; HLD at HZDR ; National Natural Science Foundation of China[11304321] ; International Postdoctoral Exchange Fellowship Program 2013[20130025] ; European Regional Development Fund[TK134] ; Estonian Research Council[PRG4] ; Estonian Research Council[IUT23-7]
WOS关键词	COUPLING-CONSTANTS ; PHASE-TRANSITION ; SPIN DYNAMICS ; RELAXATION ; MOTION ; REORIENTATION ; K3C60
WOS研究方向	Materials Science ; Physics
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000608617600005
资助机构	Deutsche Forschungsgemeinschaft (DFG) ; Wurzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter-ct.qmat ; HLD at HZDR ; National Natural Science Foundation of China ; International Postdoctoral Exchange Fellowship Program 2013 ; European Regional Development Fund ; Estonian Research Council
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/119790]
专题	中国科学院合肥物质科学研究院
通讯作者	Opherden, D.; Kuehne, H.
作者单位	1.Clark Univ, Dept Phys, Worcester, MA 01610 USA 2.Hochfeld Magnetlab Dresden HLD EMFL, D-01328 Dresden, Germany 3.Helmholtz Zentrum Dresden Rossendorf, Wurzburg Dresden Cluster Excellence Ctqmat, D-01328 Dresden, Germany 4.Tech Univ Dresden, Inst Festkorper & Mat Phys, D-01062 Dresden, Germany 5.Chinese Acad Sci, High Magnet Field Lab, Anhui Prov Key Lab Condensed Matter Phys Extreme, Hefei 230031, Peoples R China 6.Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany 7.NICPB, Akad Tee 23, EE-12618 Tallinn, Estonia
推荐引用方式 GB/T 7714	Opherden, D.,Baertl, F.,Yamamoto, Sh,et al. Freezing of molecular rotation in a paramagnetic crystal studied by P-31 NMR[J]. PHYSICAL REVIEW B,2021,103.
APA	Opherden, D..,Baertl, F..,Yamamoto, Sh.,Zhang, Z. T..,Luther, S..,...&Kuehne, H..(2021).Freezing of molecular rotation in a paramagnetic crystal studied by P-31 NMR.PHYSICAL REVIEW B,103.
MLA	Opherden, D.,et al."Freezing of molecular rotation in a paramagnetic crystal studied by P-31 NMR".PHYSICAL REVIEW B 103(2021).