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Volumn 33, Issue 13, 1994, Pages 1397-1399

The Spin Density Distribution in the Tetracyanoethylene Radical Anion, [TCNE]˙−, by Single‐Crystal Polarized Neutron Diffraction

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Indexed keywords

EID: 33748215960 PISSN: 05700833 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.199413971 Document Type: Article

Times cited : (23)

References (19)

1
- 0001616176
- Organische und metallorganische molekulare magnetische Materialien: Designer-Magnete
- (1994) Angewandte Chemie , vol.106 , pp. 399
- Miller, J.S.¹ Epstein, A.J.²

6
- 0000099508
- Molecules in Physics, Chemistry and Biology
- J. Maruani, Kluwer, Dordrecht
- (1989) Study of Chemical Bonding in Molecules: The interest of Polarized Neutron Diffraction , vol.2 , pp. 111
- Gillon, B.¹ Schweizer, J.²

7
- 84989501378
- w = 0.046. (b) Neutron diffraction (10 K): a = 14.550(36), b = 8.263(13), c = 19.686(48) Å, β = 106.14(15)°.

8
- 84989573728
- *− units overlap. Thus, the second series of experiments does not reveal much information of the spin density distribution perpendicular to the molecular plane.

9
- 0000121294
- Neutron Scattering Data Analysis
- M. W. Johnson
- (1990) Inst. Phys. Conf. Ser. , vol.107 , pp. 101
- Papoular, R.J.¹ Gillon, B.²

10
- 84956210861
- Maximum Entropy Reconstruction of Spin Density Maps in Crystals from Polarized Neutron Diffraction Data
- (1990) Europhysics Letters (EPL) , vol.13 , pp. 429
- Papoular, R.J.¹ Gillon, B.²

12
- 84989586989
- The MaxEnt technique strictly applies to positive densities, but the method can be modified to treat sign alternating densities by considering the α‐ and β‐spin densities as being independent.

13
- 84989556765
- Note that in this model the wavefunction is squared at each site and then their squares summed. This is formally incorrect as a linear combination of the atomic wavefunctions should be formed prior to squaring of the resulting wavefunction. As we allow for negative spin populations, this introduces a cross‐term and significantly more complex equations. Considering the available data, the additional computational effort is not justified.

18
- 33845282091
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 3656
- Dixon, D.A.¹ Miller, J.S.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.