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Questions tagged [molecular-structure]

This tag should be applied to questions that deal with the particular arrangement of atoms in a molecule, the so-called molecular structure or geometry.

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What is the CFSE of [Fe(CN)6]4- (including pairing energy) [closed]

I just want to know what will be the coefficient of pairing energy in the CFSE formula of [Fe(CN)_6]^4- as there is also a paired e- initially in d orbital.
LaTalia69's user avatar
10 votes
1 answer
914 views

Sargent-Welch 1947 atomic model kit, design and use

I collect and use vintage atomic / molecular model kits eg by Catalin, Courtaulds, Sargent Welch etc. These all represent molecules but intrigued by this Sargent Welch set (link below) dated 1947 ...
David's user avatar
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Why is silicon dioxide a network solid while sulfur dioxide is a molecular gas

In my understanding sulfur dioxide’s Lewis structure has one lone pair on the centre atom (sulfur) with one pi bond to each oxygen atom, while silicon cannot form these silicon-oxygen pi bonds. Both ...
Dale Yang's user avatar
0 votes
0 answers
27 views

Is electronegativity a good argument to explain that bond angle of PH3 is smaller than of NH3? [duplicate]

I can't really understand the argument of my OpenCourseWare professor. She says that the atomic size difference between the two central atoms (P is "bigger" than N) explains the fact that ...
niobium's user avatar
  • 257
-1 votes
0 answers
75 views

Individual Oxidation Number of Nitrogen atoms in HN3

I'm confused about the individual oxidation number of nitrogen atoms in hydrazoic acid. My teacher told me that oxidation state between similar atoms result in zero oxidation number on both the atoms ...
Apogee Point's user avatar
3 votes
1 answer
86 views

How to make the energy level diagram of dichlorodiammineplatinum(II)?

The oxidation state of platinum in $\ce{[PtCl2(NH3)2]}$ complex is $+2,$ so its configuration will be $\ce{5d^8 6s^0 6p^0}$ and the shape will be square planar. But this complex has two strong field ...
Code Crox's user avatar
0 votes
1 answer
92 views

What is the three-dimensional structure of H2CSF4?

Based on Bent’s rule and hybridization, which orbitals would be used to make the π-bond between carbon and sulfur, and in which plane would each of the atoms like? To make solving the question easier (...
gravity denier's user avatar
0 votes
0 answers
62 views

geometry of [Co(CN)₄]4-

This is a question that arises from the jee advanced 2024(india) exam. I am not sure whether the above complex exists.However it has been asked in the paper. in the exam we are supposed to use only ...
Ganesha Dattatraya Gaonkar CFA's user avatar
0 votes
1 answer
94 views

Why does triiodide have only single bonds?

The triiodide ion ($I_3^-$) has structure [I-I-I]$^-$, but the resonance structure [I=I-I]$^-\leftrightarrow$ [I-I=I]$^-$ seems more favourable to me. After all, it disperses formal charge and has a ...
Bernpout532's user avatar
3 votes
1 answer
562 views

Are there any 2D materials whose bonding can be best described as metallic rather than covalent?

Wikipedia's The nature of metallic bonding; In 2D says: Graphene is an example of two-dimensional metallic bonding. Its metallic bonds are similar to aromatic bonding in benzene, naphthalene, ...
uhoh's user avatar
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3 answers
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Why there is no P−O−Cl bond in phosphoryl chloride?

Why is the structure of $\ce{POCl3}$ not like the left? I know the elements in period 3 or higher don’t have to follow the octet rule, but the left structure doesn’t seem to have any problems:
Kodori's user avatar
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Restriction of back bonding in tris(dimethylamino)borane

J.D. Lee Concise Inorganic Chemistry [3, p. 78] mentions that The bond length order of the B-N bond in the following compounds is $\ce{B(NR2)3}$ > $\ce{HB(NR2)2}$ > $\ce{H2B(NR2)}$ and the ...
Chetan's user avatar
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1 vote
0 answers
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Confusion in comparing contribution of resonance structures in Hydrazoic acid

Given below is the resonance hybrid of $\ce{HN3}$(Hydrazoic acid) And these are the resonance structures below: If the second resonance structure had contributed more, then the two bond lengths ...
Chetan's user avatar
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0 answers
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Why is a C=C weaker than a C=N and even weaker than a C=O when C-C is stronger than C-N and C-O?

Why is a C=C bond weaker than a C=N and even weaker than C=O ? In terms of orbital overlap it doesn't make sense, since there is a difference in energy between the orbitals which lower the interaction ...
TheBorcanu's user avatar
6 votes
1 answer
96 views

Why does tert-butyl alcohol smell like camphor?

Industrial alcohol sold in Taiwan often have a pronounced smell that resembles camphor. When I checked the ingredients at the back, it included tert-butyl alcohol $\ce{(CH_3)_3COH}$, which Wikipedia ...
Jonathan Huang's user avatar
9 votes
1 answer
864 views

Are London dispersion forces in xenon tetrafluoride strong enough to make it a solid?

Xenon_tetrafluoride ($\ce{XeF4}$) is a well-known square-planar molecule with no dipole moment. Molecules are thus have to be bound to each other by London dispersion forces (LDF) which are known to ...
Mikhail Petrov's user avatar
3 votes
0 answers
102 views

What is the source of the intense blue colour of ultramarine pigment?

The pigment ultramarine was once a rare, expensive and highly prized pigment for artists because of its intense, long lasting blue colour. It was one of the most expensive pigments used in renaissance ...
matt_black's user avatar
0 votes
0 answers
57 views

Behavior of polyanionic silicate chains in silico

I am trying to understand the stability of charged linear molecules, more specifically these, which contain periodically repeated high electron affinity parts, such as single-bonded oxygen (radicals). ...
Paul Kolk's user avatar
0 votes
0 answers
27 views

Why can't the fructose monomer in sucrose be α-fructose?

In all academic sources, sucrose is identified as α−glucose (1-->2) β−fructose. However, I cannot find any explanation anywhere as to why the fructose monomer has to be in the β configuration. ...
MD P's user avatar
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0 answers
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What is happenning with that single hydrogen in Phosphorous acid?

As an oxyacid, Phosphorous acid intuitively should have the structure since the hydrogens should be on the oxygens. However, the major form of this acid is actually with the hydrogen attached to the ...
Captain Chicky's user avatar
-2 votes
1 answer
60 views

Is methylpropane actually butane?

My notes from my teacher says that 1- chloromethylpropane can be prepared from methylpropane under sunlight with chlorine. However I am confused as I think there is no such thing as methylpropane ...
gatiskandis's user avatar
4 votes
1 answer
160 views

How to draw endo-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride on ChemDraw?

I'm struggling to draw endo-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride on ChemDraw. I currently have this: How can I draw it in the chair conformation side on view? I know what it is ...
avogadros_pupil's user avatar
1 vote
1 answer
55 views

Best representation of 1310384-76-9 / 1104637-53-7, a molecule with a coordination bond between nitrogen and boron

If you look up the above CAS numbers, you will sometimes find this structure: which, I think correctly, our chemistry validation software tags as 'bad valence'. In other websites you will find the ...
user6376297's user avatar
0 votes
0 answers
31 views

How to integrade a group of disconnected smiles descriptors from molecular into a single smiles descriptor?

I am new to cheminfo so this question may sound stupid. I am trying to calculate the RDF(radial distribution function) of these two compounds below: https://pubchem.ncbi.nlm.nih.gov/compound/155293646 ...
Yuuya's user avatar
  • 35
-2 votes
1 answer
68 views

I need a good 3d drawing of ferropericlase [closed]

I'm not a scientist, I'm an artist and I need a good 3d drawing of ferropericlase, where can I find that? Thank you! Niki
Nicoletta Barolini's user avatar
8 votes
1 answer
702 views

Does concept of degree of unsaturation not work for fullerene molecule?

Commonly known buckminsterfullerene has molecular formula C60 if we calculate it's degree of unsaturation by formulae, it comes out to be 61 and it is also known that this fullerene has 12 pentagon ...
worksifitdoes's user avatar
-4 votes
1 answer
201 views

Are all bond lengths equal in [8]annulene? [closed]

I know [8]annulene is non-planar, but are all bond lengths equal?
user avatar
-2 votes
1 answer
76 views

Why does the two OH bonds in H2O have different bond disassociation enthalpies? How does the bond cleavage happen here?

I came across this question, and in the text it was written as 'change in the chemical environment'. I wasn't satisfied with this explanation, so I am looking for a more detailed answer on this matter ...
goldi mathews's user avatar
-1 votes
3 answers
245 views

How many molecules in DNA?

This seems to be a simple question but I have failed to find an answer by searching. Let's consider human DNA so 23 chromosomes. The first question is on the double helix, is that considered as one or ...
badjohn's user avatar
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5 votes
1 answer
166 views

From chemfig to .mol file/SMILES

I usually draw molecules using the markup language known as LaTeX. In particular, I use the chemfig package. I much prefer this method over WYSIWYG apps because it ...
user3204810's user avatar
-5 votes
1 answer
88 views

What does the colon (the pairs of dots) mean in chemical structures? [closed]

What do the two dots mean, for example, the "Ö" in Wikipedia.org - Hydroxonium-cation.svg
11pro12's user avatar
2 votes
2 answers
239 views

Cyclopentadiene planar

Cyclopentadiene has a sp3 carbon yet it is said to be planar. I am not able to understand and haven't been able to find a credible source. Some sources say it to be non-planar
gsam7's user avatar
  • 29
0 votes
1 answer
120 views

Correct structure of compound tetraiodine nonoxide [duplicate]

I have a confusion about the correct structure of tetraiodine nonoxide. I came to know about it while reading the equation : $$\ce{6 I2 (dry) + 11 O3 -> 3I4O9 + 3O2 }$$ Now again I saw the equation ...
Prince Nagar's user avatar
3 votes
0 answers
168 views

Are there any compounds with pentagonal pyramidal molecular geometry?

As a high school student, I am curious whether there are any compounds with pentagonal pyramidal molecular geometry. I know that most compounds having hexacoordinated central atom and having $\sigma = ...
Bongo Man's user avatar
  • 429
-1 votes
1 answer
361 views

Transform raw atomic coordinate data into SDF file

I have raw data of the atom types and their coordinates. For example, water molecule is: O -0.034 0.977 0.007 H 0.064 0.020 0.001 H 0.871 1.300 0.0006 Here, I ...
neco's user avatar
  • 115
5 votes
1 answer
328 views

Why is pyramidal structure observed in trisilylphosphine?

Why does trisilylphosphine $\ce{P(SiH3)3}$ (ICSD Entry: 72676, [1]) have a pyramidal structure while trisilylamine $\ce{N(SiH3)3}$ (ICSD Entry: 201428, [2]) is planar? I think since silicon has a ...
Substitute_Y's user avatar
-3 votes
1 answer
109 views

Can glycerol in substituted natural fats be a monomer according to European REACH Regulation? [closed]

European REACH regulation for registration of chemical substances has an own definition of a polymer according to this regulation. I've noticed the following problem. I want to discuss here only the ...
IV_'s user avatar
  • 271
3 votes
1 answer
134 views

Dipole moments of trans and cis nitrous acid

I have a paper due about the isomers of nitrous acid, using various calculations methods to find molecular properties like their dipole moment. I've found the dipole moment of trans isomer to be 1.987 ...
silvermacabre's user avatar
-4 votes
2 answers
114 views

Mechanism of S2Cl2 and NaHSO3 [closed]

I learned that NaHSO3 reacts with S2Cl2 to give Na2S4O6 as product. After looking up the structure of Na2S4O6, it confuses me that four sulfur atoms connect together. I couldn't figure out the exact ...
Shira's user avatar
  • 610
1 vote
1 answer
95 views

Does I2 form coordinate covalent bond with PI3 in PI3.I2 (PI5)

As PI5 is uncertainly stated as the combination of PI3 and I2. There are suggestions that phosphorus donates its 3s electron pair to molecular orbital of I2 or I2 donates its electron to 3d orbital of ...
Shira's user avatar
  • 610
0 votes
1 answer
146 views

Which group takes CIP priority CH2OH or CH2OCH3?

I am confused why this structure is (2R, 3R) when CH2COMe takes priority over CH2OH which takes priority over CH3, surely it should be (2S, 2R)?
Michael Heron's user avatar
4 votes
2 answers
766 views

Is HC(=NH)OH a stable compound?

The molecule $\ce{HC(=NH)OH}$ has been shown to derive from hydrogen cyanide and water (compound 7). Is it a stable compound? source: Das, T.; Ghule, S.; Vanka, K. Insights Into the Origin of Life: ...
nightcod3r's user avatar
-4 votes
1 answer
141 views

What is the structure of quinine? [closed]

I am very confused on what the inner lines in the hexagons mean, are these representing double bonds? If yes, does that mean quinine has 6 double bonds? Also what would be considered a central atom ...
Ahmad Ghaddar's user avatar
5 votes
1 answer
2k views

How to convert SMILES to 3D (with higher accuracy than RDKit)?

I am interested in assigning 3D coordinates to (atoms in) some 10K molecules that I have, currently represented by SMILES. This is because as have been shown by many chemoinformatics papers, 3D and 2D ...
jasperhyp's user avatar
-1 votes
2 answers
335 views

Why does the conjugate base of peracetic acid not have any resonance structures?

Peroxyacetic acid, $\ce{CH3C(O)OOH}$ has its anion form when a proton is detached, like $\ce{CH3C(O)OO-}$. I think it can have two resonance forms like I drew (even though they have several charge ...
NIH's user avatar
  • 19
3 votes
0 answers
74 views

Why does gallium expand on solidification

I've heard that Ga exist as Ga2 molecules in its crystal lattice. Does that have anything to do with expansion of Ga while solidifying? Why and how does it actually expand?
Neet aspirant's user avatar
-3 votes
1 answer
87 views

According to molecular orbital theory, is the antibonding orbital empy when electrons are found in the bonding orbital?

According to molecular theory when 2 atomic orbitals combine, 2 molecular orbitals will be created. So if the electrons are in the bonding orbital will the antibonding orbital exist and just be empy? ...
CaptainAmerica Whyso's user avatar
-2 votes
1 answer
4k views

How to make bonds thicker in ChemDraw?

I often see molecules depicted using ChemDraw with all or selected bonds visibly thicker than those used with the style defined with ACS-1996 template. For example, see the PDF handouts for Baran's ...
Lanagan's user avatar
-4 votes
1 answer
241 views

Planarity of rings [closed]

Can a 7 or less than 7 membered homocyclic ring with unsaturated C atoms and fully conjugated system, lose planarity? The smallest homocyclic non-planar ring that I know is cyclooctatetraene which is ...
Shubhayu Basak's user avatar
0 votes
0 answers
127 views

At the atomic or molecular level, why are some macroscopic materials more flexible, compared to others?

Before answering this question, keep in mind that I am a 2 year Biology student, with limited experience in studying chemistry. I am going to make assumptions which I explain, feel free to correct ...
Growing6884's user avatar

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