Next Article in Journal
Recent Advancements of N-Doped Graphene for Rechargeable Batteries: A Review
Next Article in Special Issue
Deuteration Effects on the Transport Properties of (TMTTF)2X Salts
Previous Article in Journal
Macromolecular Serial Crystallography
Previous Article in Special Issue
Chiral Conducting Me-EDT-TTF and Et-EDT-TTF-Based Radical Cation Salts with the Perchlorate Anion
 
 
Article
Peer-Review Record

Synthesis, Structure and Physical Properties of (trans-TTF-py2)1.5(PF6)·EtOH: A Molecular Conductor with Weak CH∙∙∙N Hydrogen Bondings

Crystals 2020, 10(12), 1081; https://doi.org/10.3390/cryst10121081
by Shohei Koyama 1, Morio Kawai 1, Shinya Takaishi 1, Masahiro Yamashita 1,2, Norihisa Hoshino 3, Tomoyuki Akutagawa 3, Manabu Kanno 1 and Hiroaki Iguchi 1,*
Reviewer 1: Anonymous
Reviewer 2: Anonymous
Crystals 2020, 10(12), 1081; https://doi.org/10.3390/cryst10121081
Submission received: 31 October 2020 / Revised: 24 November 2020 / Accepted: 24 November 2020 / Published: 26 November 2020
(This article belongs to the Special Issue Organic Conductors)

Round 1

Reviewer 1 Report

The study seems to be technically well conducted, however, the English language needs serious improvement, and it is difficult to make sense of the possible actual meaning of some sentences. The following are lines where suggested modifications are needed:

Line 37) what is association-dissociation energy?. Is this average the bond energy of hydrogen bonds? Explain or re-write.

Line 76) what is F2? structure factor square? define instead of using that symbol only.

Line 78) ... using the Gaussian 16 package

Line 80) unclear meaning, re-write

Line 91) remove "with a little modification", and indicate explicitly which is the modification

Line 126) is the TTF-py2 reactant a mixture of cis and trans isomers?. Indicate that explicitly.

Figure 1) the shifts between stacks of molecules in (c) cannot be given in meV. Indicate in the figure caption what are the A and B layers. 

Table 1) indicate which of the distances are shorter than the van der Waals radii sum. Those S...S short contacts help also to stabilize the structure. Figure 1 and Table 1 should be after the crystal structure description, not before.

Line 145) check English

Line 169) Not clear how -4.18 Kcal/mol is obtained, re-write

Line 177) what is solid-state absorption spectrum? what technique? is it UV-Vis spectroscopy? The complete Raman spectrum should be shown, with an inset for the region currently illustrated. The scale for (b) could be improved

Figure 2d) which are the units of 1000/T ?

lines 196-197) which are the units of 0.0045? why here is not multiplied by 1000?

Line 209) unclear 'chemical species' meaning in the sentence. Explain.

 

 

 

Author Response

Please see the attachment.

Author Response File: Author Response.doc

Reviewer 2 Report

The manuscript contains an interesting work on a TTF-based molecular conductor. This work is competently carried out. However, there are still some fundamental questions to be answered prior to publication.

  • Please check carefully the NMR data of compound 3, the total number of protons is not consistent with its composition.
  • In the Scheme 1, the reactant 2 should be potassium isopropylxanthate. Please correct it.
  • TTF-py2_PF6 (page 4, line 125) should be in bold.
  • Please clarify the charge transfer from trans-TTF-py2.+ to trans-TTF-py2.+ (page 6, line 190).
  • There are two relevant publications not cited by the authors. Chem. 2006, 45, 3152-3154; 2003, 42, 4801-4803

In summary, this is a good quality work that will be able to attract the attention of a wide community of chemists. I recommended it for publication in Crystals, subject to minor revisions.

Author Response

Please see the attachment.

Author Response File: Author Response.doc

Back to TopTop