BioRisk | 8: 93— | 04 (2022) oe asa ea aa ors
doi: 10.3897 /biorisk. 8.80607 RESEARCH ARTICLE & BI O R IS k

https://biorisk.pensoft.net

Potential risk resulting from the influence of static
magnetic field upon living organisms. Numerically
simulated effects of the static magnetic
field upon porphine

Wojciech Ciesielski', Tomasz Girek', Zdzistaw Oszczeda’,
Jacek A. Soroka?, Piotr Tomasik?

I Institute of Chemistry, Jan Dlugosz University, 42 201 Czestochowa, Poland 2 Nantes Nanotechnological
Systems, 59 700 Bolestawiec, Poland 3 Scientific Society of Szczecin, 71-481 Szczecin, Poland

Corresponding author: Wojciech Ciesielski (w.ciesielski@interia.p])

Academic editor: Josef Settele | Received 16 January 2022 | Accepted 9 May 2022 | Published 30 June 2022

Citation: Ciesielski W, Girek T, Oszczeda Z, Soroka JA, Tomasik P (2022) Potential risk resulting from the influence
of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon porphine.

BioRisk 18: 93-104. https://doi.org/10.3897/biorisk.18.80607

Abstract

Background: Recognizing effects of static magnetic field (SMF) of varying flux density on flora and fauna
is attempted. For this purpose the influence of SMF upon the porphine molecule is studied.

Methods: Computations of the effect of static magnetic field (SMF) of 0.0, 0.1, 1, 10 and 100 AFU (1
AFU > 1000 T) flux density were performed in silico for SMF changes distribution of the electron density
in that molecule. HyperChem 8.0 software was used together with the AM1 method for optimization
of the conformation of the molecule of porphine. The computations of polarizability, charge distribu-
tion, potential and dipole moment for molecules placed in SMF were performed for molecule situated
subsequently in the x-y, y-z and x-z planes of the Cartesian system. The computations involved the DFT
3-21G method.

Results: Static magnetic field (SMF) decreased stability of the porphine molecule. This effect depended
on the situating the molecule in respect to the direction of SMF of the Cartesian system. An increase in
the value of heat of formation was accompanied by an increase in dipole moment.

Conclusions: Observed effects resulted from deformations of the molecule which involved pyrrole rings
holding the hydrogen atoms at the ring nitrogen atoms and the length of the C-H and N-H bonds. In a

consequence that macrocyclic ring lost its planarity.

Keywords

dipole moment, heat of formation, structure deformation

Copyright Wojciech Ciesielski et al. This is an open access article distributed under the terms of the Creative Commons Attribution License (CC
BY 4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

94 Wojciech Ciesielski et al. / BioRisk 18: 93-104 (2022)

Introduction

Although porphine itself (Fig. 1) does not occur in nature, numerous porphine deriva-
tives play an essential role in functioning in living organisms of flora and fauna.
Porphine is a macrocyclic compound of an aromatic character. It is formed of
four pyrrole rings bound with four methine (-CH=) bridges. The macrocyclic ring
is planar and only the N—H bonds are bent in opposite (trans) directions (Caughey
and Ibers 1977; Kadish et al. 2000; Ortiz de Montellano 2008). Involving numer-
ous biosynthetic ways (Elder 1994; Aylward and Bofinger 2005), many porphine de-
rivatives are naturally formed from protoporhyrin IX, it being a precursor of several
biologically important compounds. A biological activity of porphine derivatives is
achieved when metal ions are coordinated within the macrocyclic ring (Caughey and
Ibers 1977; Kadish et al. 2000; Ortiz de Montellano 2008). This course of study was
developed as a consequence of considerable environmental pollution with magnetic
fields generated by modern technologies and technical solutions in several areas of
human everyday life (Hamza et al. 2002; Rankovic and Radulovic 2009; Committee
to Assess the Current Status and Future Direction of High Magnetic Field Science in
the United States 2013; Magnet Science and Technology 2021; Magnetism in real life
2021). This paper follows a series of three recent papers of ours in which the effect of
static magnetic field (SMF) upon small inorganic molecules (Ciesielski et al. 2021),
lower alkanols (Ciesielski et al. 2022a) and monosaccharides (Ciesielski et al. 2022b)
was recognized. In order to recognize the effect of SMF upon biologically important

Figure |. Structure of the porphine molecule with the system of numbering of the atoms followed

throughout the discussion and situating axes of the Cartesian system.

Numerically simulated effects of the static magnetic field upon porphine 95

metalloporphyrines, in the present study we focused on the effect of SMF upon their
free ligand, i.e. porphine itself.

As in our former papers (Ciesielski et al. 2021; Ciesielski et al. 2022a, b) the ef-
fect of SMF of flux density varying from 0 to 100 AFU was simulated with advanced
numerical computations involving the in silico approach.

Numerical computations

DFT Molecular structures were drawn using the Fujitsu Scigress 2.0 software (March-
and et al. 2014). Their principal symmetry axes were oriented along the x-, y and z-
axes of the Cartesian system. The magnetic field was fixed in the same direction with
the south pole from the left side. Z axis is directed perpendicularly to the porphine
plane, the x and y axes are in the plane of the system, each of them along two nitrogen
atoms. In the case of full mesomerism, because of the quaternary symmetry of z axis,
the last two axes were undistinguished. When the nitrogen atoms differ from one
another, the x axis crossed two nitrogen atoms substituted by hydrogen atoms and
y axis crossed remained two unsubstituted nitrogen atoms. Thus, both x and y axes
were distinguishable.

Subsequently, utilizing Gaussian 0.9 software equipped with the 6-31G** basis
(Frisch et al. 2016), the molecules were optimized and all values of bond length, dipole
moment, heath of formation, bond energy, HOMO/LUMO energy level for single
molecules as well as HOMO/LUMO energy level and total energy for systems built of
three molecules, were computed.

In the consecutive step, the influence of the static magnetic field (SMF) upon op-
timized molecules was computed with Amsterdam Modelling Suite software (Farber-
ovich and Mazalova 2016; Charistos and Mufioz-Castro 2019) and the NR_LDOTB
(non-relativistic orbital momentum L-dot-B) method (Glendening et al. 1987; Car-
penter and Weinhold 1988). Following that step, using Gaussian 0.9 software equipped
with the DFT with functional B3LYP 6-31G* basis (Frisch et al. 2016) the values of
bond length, dipole moment, heath of formation equal to the energy of dissociation,
bond energy HOMO/LUMO energy level for single molecules, were again computed
using the single-point energy option key word.

Visualization of the HOMO/LUMO orbitals and changes of the electron density
for particular molecules and their three molecule systems was performed involving the
HyperChem 8.0 software (Froimowitz 1993; Mazurkiewicz and Tomasik 2013).

Results and discussion

Generally, SMF decreased stability of the poprhine molecule (Table 1). Heat of for-
mation increased with an increase in applied flux density. This effect depended on
the positioning of the molecule in respect to the direction of SMF defined in terms

96 Wojciech Ciesielski et al. / BioRisk 18: 93-104 (2022)

of the Cartesian system. ‘The response of the molecule in the x-y, y-z and x-z planes
did not parallel one another. An increase in the value of heat of formation was ac-
companied by an increase in dipole moment. Again, these changes did not parallel
one another.

Thus, SMF destabilized porphine, increasing interatomic distances and separating
their charges.

Heat of formation and dipole moments regularly, although to a different extent,
increased with an increase in the applied SMF flux density. This effect was common
for porphine molecule, regardless whether it was located in either the x-y, y-z or x-z
plane. However, in terms of dipole moment, the strongest reaction to an increase in
flux density was noted for the molecule situated in the x-y plane.

These total effects resulted from the distribution of the charge density at particular
atoms, bond lengths, the deformation of the molecules and changes of their initial
position in selected plane of the Cartesian system. Table 2 shows that, usually, charge
density at particular atoms changed irregularly against an increase in the SMF flux
density. The irregularity in associated bond lengths is shown in Table 3.

Table 2 revealed that the highest number of irregular changes of the charge distribu-
tion against changes of flux density was met in the molecule situated in the x-y and y-z
planes, whereas the number of such irregularities in the x-z plane was minute. It should
also be noted that several cases of a lack of sensitivity of the charge density to an increase
in the flux density were observed when the molecule was oriented in the x-z plane.

The highest number of irregular changes of the bond lengths against an increase in
flux density was observed for the molecule situated in the x-y plane.

Fig. 2 presents deformation of this molecule situated in the x-y, y-z and x-z planes
of the Cartesian system.

One might see that, first of all, regardless of the positioning of the molecule in the
Cartesian system, the deformation involved pyrrole rings holding the hydrogen atoms
at the ring nitrogen atoms and the length of the C-H and N—H bonds. The magni-
tudes of the deformation are well illustrated by a variation of the charge density at
particular atoms (Table 2) and corresponding bond lengths (Table 3). Particularly, but
not solely, structures of the molecule situated in the y-z plane show that the macrocy-
clic ring lost its planarity. Porphine treated with external electric field behaved similarly
(Mazurkiewicz and Tomasik 2013).

Table |. Heat of formation [kJ.mol'] and dipole moment [D] of the porphine molecule depending on
its positioning in the Cartesian system and applied SMF flux density [AFU].

Orientation along the axes of Heat of formation [kJ-mol"*] Dipole moment [D]
the Cartesian System at SMF flux density [AFU] at SMF flux density [AFU]
0 0.1 1.0 10 100 0 0.1 1.0 10 100
x-y -792 ~-782 -758 -731 -704 2.01 2.12 2.48 2.88 3.09
y-z =792- “<7F89° @-7650 “(4 ~-7TT. 220-2208) S21 DTG. 33263

X-Z -792 -781 -763 -715 -697 2.01 2.06 2.34 2.74 2.89

Numerically simulated effects of the static magnetic field upon porphine 97

Table 2. Charge density [a.u] at particular atoms of the porphine molecule depending on SMF flux
density [AFU] positioning in the Cartesian system.

Atom SMF along indicated Tendency* Charge density [a.u] at SMF flux density [AFU]
Cartesian axis 0 0.1 1.0 10 100
Nl x RH -1.119 -1.045 -0.987 -0.985 -0.937
Z RH -1.025 -1.017 -1.012 -0.934
¥ TH -1.004 -0.789 -0.940 -0.545
N2 x IL -0.817 -0.807 -0.795 -0.813 -0.855
Ls RH -0.783 -0.779 -0.772 -0.756
be Vv -0.750 -0.684 -0.425 -0.725
N3 xX IH -1.089 -1.025 -0.993 -0.948 -0.985
Ls IL -0.988 -0.986 -0.991 -0.995
ne IH -1.035 -0.938 -0.978 -0.789
N4 x RH -0.817 -0.816 -0.795 -0.762 -0.754
Z IH -0.785 -0.779 -0.785 -0.765
ee Vv -0.662 -0.759 -0.503 -0.454
G5 x TH 0.492 0.454 03559 0.447 0.572
Z IL 0.450 0.457 0.431 0.391
Y RL 0.474 0.282 0.152 0.070
C6 Xx TH -0.355 -0.351 -0.312 -0.317 -0.283
Z NC -0.354 -0.362 -0.350 -0.348
xh IH -0.370 -0.148 -0.121 -0.094
CF x IL 0.393 0.362 0.310 0.354 0.285
LZ NC 0.384 0.380 0.385 0.383
ve RL 0.332 0.269 0.163 -0.283
C8 x ITH -0.283 -0.251 -0.267 -0.244 -0.197
rs NC -0.274 -0.272 -0.278 -0.273
Y TH -0.219 -0.077 -0.007 -0.163
C9 Xx RL -0.213 -0.214 -0.233 -0.249 -0.257
iz, NC -0.226 -0.223 -0.221 -0.222
Y Vv -0.150 -0.150 -0.232 -0.059
C10 Xx RH 0.282 0.285 0.286 0.305 03553
Z; IL 0.281 0.278 0.254 0.262
Y IL 0.220 0.105 0.185 -0.088
er x Vv -0.253 -0.273 -0.227 -0.301 -0.298
PA Vv -0.296 -0.291 -0.273 -0.268
4 Vv -0.116 -0.202 -0.235 -0.001
C12 Xx Vv 0.434 0.418 0.330 0.425 0.476
Z Vv 0.389 0.392 0.371 0.409
ba IL 0.339 0.255 0.260 0.226
C13 Xx -0.292 -0.305 0.018 0.338 0.470
Z Vv -0.266 -0.269 -0.241 -0.272
vd Vv -0.353 -0.207 -0.152 0.356
C14 x IH -0.292 -0.249 -0.309 0.037 0.023
Z Vv -0.269 -0.269 -0.282 -0.268
xv Vv -0.291 -0.372 -0.184 -0.348
C15 x Vv 0.434 0.354 0.419 0.247 0.209
Ls IL 0.397 0.392 0.418 0.385
ae RL 0.410 0.389 0.290 0.094
C16 x TH -0.253 -0;221 -0.322 -0.139 -0.189
Ze IL -0.295 -0.291 -0.303 -0.311
Rg Vv -0.311 -0.073 -0.103 -0.089

98

Atom SMF along indicated Tendency*
Cartesian axis

C17

C18

C19

C20

C21

C22

G25

C24

H25

H26

Ay

H28

H29

H30

H31

F132

H33

KNKXAKANKKNKKNKXACANK KN KKNKK NK KN KK NK AK NK KN KK N KK NK K NK K NK KN

Vv
RL
RL

Wojciech Ciesielski et al. / BioRisk 18: 93-104 (2022)

Charge density [a.u] at SMF flux density [AFU]

-0.213

-0.283

0.393

-0.355

0.492

-0.230

-0.230

0.267

0.230

0.240

0.250

0.254

0.237

0.237

0.254

0.250

0.1
0.281
0.278
0:252
-0.201
-0.224
-0.197
-0.272
-0.272
-0.163
0.356
0.388
0.285
=0.352
-0.363
-0.232
0.428
0.470
0.367
-0.210
-0.241
-0.133
-0.160
-0.242
-0.288
0.209
0.265
0.269
0.217
0.239
0.214
0.235
0.239
0.179
0.247
0.246
0.192
0.248
0.255
0.170
0.247
0.245
0.080
0.059
0.243
0.245
0.242
0.253
0.261
0.237
0.246
0.216

1.0
0.309
0.278
0.230
-0.233
-0.223
-0.127
-0.249
-0.272
-0.183
0.348
0.379
0.243
-0.360
-0.359
-0.238
0.419
0.456
0.338
-0.052
-0.241
-0.175
-0.223
-0.241
-0.112
0.290
0.264
0.126
0.234
0.235
0.069
0.234
0.241
0.175
0.245
0.246
0.168
0.259
0.252
0.197
0.018
0.244
0.220
0.256
0.244
C122
0.253
0.252
0.149
0.250
0.246
0.174

10
0.243
Wea 7e
0.148
-0.206
-0.224
-0.095
-0.274
-0.265
-0.189
0.288
0.393
0.263
-0.218
-0.349
-0.146
05299,
0.456
0.183
-0.175
-0.242
-0.129
0.026
-0.234
-0.140
0.258
0.273
0.077
0.260
0.232
0.077
0.270
0.235
0.179
0.250
0.249
0.179
0.260
0.251
0.151
0.234
0.238
0.180
0.060
0.237
0.120
0.218
0.256
0.114
W295
0.242
0.167

100
0.256
0.257
-0.051
-0.207
-0.224
-0.067
-0.272
-0.274
-0.124
0.275
0.400
0.113
-0.095
-0.375
-0.123
0.169
0.442
0.276
-0.152
-0.240
-0.019
-0.032
-0.232
-0.021
-0.071
0.270
0.127
0.237
0.233
0.103
0.268
0.232
0.151
0.247
0.251
0.166
0.258
0.250
0.075
0.188
0.243
0.027
0.071
0.238
0.061
0.206
0.258
0.099
0.189
0.244
0.132

Atom SMF along indicated Tendency*
Cartesian axis

H34

H35

H36

H37

H38

Numerically simulated effects of the static magnetic field upon porphine

NKKNKKNK KN XK KN XK

we

99
Charge density [a.u] at SMF flux density [AFU]
0 0.1 1.0 10 100
0.240 0.233 0.252 0.238 0.218
0.241 0.241 0.244 0.247
0.159 0.169 0.288 0.179
0.230 0.232 0.248 0.233 0.244
0.236 0.236 0/227 0.234
0.126 0,139 0.099 0.055
0.267 0.257 0.054 0.339 0.244
0.264 0.264 0.256 0.253
0.177 0.207 0.165 0.035
0.474 0.474 0.479 0.481 0.441
0.452 0.446 0.447 0.434
0.585 0.402 0.091 0.378
0.461 0.485 0.489 0.492 0.530
0.454 0.447 0.445 0.442
0.484 0.508 0.048 0.594

*Abbreviations used here and in next Tables: RHregularly increasing, IH - irregularly increasing, RL- regularly decreas-

ing, IL - irregularly decreasing, V - lack of any regular tendency, NC - nearly constant.

Table 3. Bond lengths [A] between particular atoms of the porphine molecule depending on SMF flux

density [AFU] positioning in the Cartesian system. See Table 2 for notation.

Bond

N1-C5

N1-C22

N1-H37

N2-C7

N2-C10

N3-C12

N3-C15

N3-H38

N4-C17

SMF along indicated
Cartesian axis

KNKKANKANKAKANKAKNKKNXAKCNKKNK KN X

Tendency

Bond length [A] at flux density [AFU]

0
1.326

1.340

1.010

W325

1.401

1.328

1.328

1.010

1.401

0.1
1.352
1.385
1.358
1.354
1.407
1.417
1.112
0.990
1.052
Wed 52
1.432
1.422
1.410
1.432
1.458
1.358
1.384
1.303
1.347
1.394
1.359
1.104
0.990
0.978
1.383
1.427
1.486

1.0
1.409
1.402
1.451
1.381
1.402
1.430
1.040
0.990
1.480
1.392
1.337
1.349
1.374
1.425
L593
1.367
1391
1.416
1.389
1.391
1.270
1.024
0.993
0.824
1.411
1.425
1.407

10
1.373
1.390
1.640
1.434
1.405
1.552
1.055
0:975
1,732
1.357
L521
1.448
1.411
1.433
1.579
1.389
1.375
1.484
1.404
15392
1.358
1.023
0.987
1.494
1371
1.434
1.500

100
1.387
1.463
1.502
1.438
1.425
1.432
1.108
0.985
VAT.
1.345
1.320
W352
L379
1.431
1.676
1.370
1.368
1.226
1.435
95
277
1.101
0.995
1.436
1.361
1.500
1.896

100 Wojciech Ciesielski et al. / BioRisk 18: 93-104 (2022)

Bond SME along indicated Tendency Bond length [A] at flux density [AFU]
Cartesian axis 0 0.1 1.0 10 100
N4-C20 xX TH 1.325 1.368 1.383 1.382 1.381
Z V 1.339 1.337 1.326 1.320
¥ IH 1.480 1.476 1.365 1.772
C5-C6 xX RH 1.340 1.336 1.370 1.440 1.480
Z Vv 1.364 1.365 1.361 1.344
Y IH 1.246 1.432 1.457 1.582
C5-C24 xX Vv 1.458 1.472 1.473 1.350 1.375
Z IH 1.488 1.492 1.499 1.453
Y RH 1.478 1.597 1.656 1.671
C6-C7 X RL 1.460 1.442 1.412 1.412 sa:
Z V 1.428 1.435 1.410 1.450
ry Vv 1.416 1.546 1559 1.596
C6-H26 xX Vv 1.080 1.198 1.123 1.107 1.209
Z IH 1.098 1.100 1.171 1.113
Y RH 1.262 1.706 1.854 1.891
C7-C8 oe Vv 1.462 1.453 1.425 1.450 1.514
Z IH 1.490 1.495 1.493 1.500
Y Vv 1.568 1.398 1.429 1.671
C8-C9 xX Vv 1.326 1.307 1.398 1.388 1.396
Z V 1.366 1.365 1.359 1.395
¥: IH 1.459 1.454 1.461 1.696
C8-H27 x Vv 1.080 1.172 1.098 1.077 1.223
Z RH 1.084 1.086 1.094 1.124
¥ RH 1.382 1.657 1.730 1.776
C9-C10 Xx RL 1.456 1.445 1.428 1.424 1.441
Z IH 1.492 1.491 1.497 1.500
Y TH 1,562 1.532 1.547 1.802
C9-H28 xX V 1.080 1.129 1.094 1.091 1.150
Z TH 1.082 1.094 1.104 1.085
Y TH 1.459 1.499 1.408 1.911
C10-Cl11 xX IH 1.340 1.351 1.419 1.364 1.381
Ze V 1.357 1.358 1.348 1.329
¥ IH 1.418 1.418 1.383 1.587
C11-C12 xX Vv 1.460 1.407 1.397 1.428 1.417
Z Vv 1.426 1.430 1.433 1.429
Y. Vv 1.452 1.463 1.341 1.778
C11-H29 xX Vv 1.080 1.160 1.141 1.076 1.179
Z Vv 1.104 1.105 1.097 1.103
a4 TH 1.535 1.433 1.604 2.068
C12-C13 xX RH 1.337 1.380 1.380 1.382 1.480
Z Vv 1.435 1.430 1.426 1.430
X IH 1.410 1.464 1.614 1.599
C13-C14 x NC 1.450 1.400 1.395 1.425 1.431
Z IL 1.483 1.410 1.480 1.401
Ne Vv 1.418 1.416 1.537 1.070
C13-H30 xX Vv 1.080 1.138 2.265 1.179 1.109
Z V 1.082 1.085 1.085 1.007
¥ V 1.817 1.338 1.496 2.060

Bond

C14-Cl15

C14-H31

C15-Cl6

C16-C17

C16-H32

C17-C18

C18-C19

C18-H33

C19-C20

C19-H34

C21-C22

C20-C21

C21-H35

C22-C23

C23-C24

C23-H36

C24-H25

Numerically simulated effects of the static magnetic field upon porphine

SMF along indicated
Cartesian axis

KNSKKNSKMKNMKMKNMKMANK AKAN KK NK KN KM AKN KK NK KN KK NK KN KK NK KN KK NK KN XS

Tendency

0
1.337

1.080

1.460

1.340

1.080

1.456

L357

1.080

1.452

1.080

1.340

1.460

1.080

1.458

1.359

1.080

1.080

Bond length [A] at flux density [AFU]

0.1
1.342
1.430
1.406
1.798
1.083
1.130
1.414
1.434
1.378
1.384
1.355
1.316
1225
1.104
1.104
1.435
1.493
1.504
Loo?
1.367
1.387
1.198
1.084
1.276
1.448
1.485
1.517
1.138
1.083
1.521
1.364
1.354
1.401
1.418
1.366
1.459
1.997
1.102
1.567
1.441
1.485
1.500
Loe,
1.357
1.403
25
1.097
1.528
1.354
1.084

1.1591

1.0
1.408
1.430
N22
1.120
1.086
1.739
1.382
1.430
1.454
1.368
1.358
1.428
1.084
1.105
1.595
1.435
1.491
1.508
1.320
1.365
1.527
1.085
1.086
1.547
1.453
1.496
L378
1.077
1.086
1.494
1.389
1.362
1.324
1.402
1.362
1.432
1.088
1.100
1.465
1.428
1.492
1.544
1.280
1.362
1.484
1.733
1.088
1.445
1.064
1.088
1.689

10
1.403
1.442
1.507
3.640
1127
1.860
1.436
1.428
1.495
1.428
1.362
1.518
1.298
1.098
1.778
1.424
1.476
1.560
1.418
1.374
1.482
1.200
1.094
1.568
1.386
1.499
1.417
1.073
1.094
1.407
1.365
1.368
1.656
1.451
1.358
1.457
LAS F
1.095
1.614
1.520
1.475
1.656
1.355
1.368
W393
1.082
1.073
1625
3.183
1.083
1.839

101

100
1.401
1.453
1.620
6.799
1.079
1.753
1.452
1.442
1.633
1.452
L329
1.497
1.359
1.103
1.891
1.445
1.500
1.671
1.417
L393
1.696
Ree ae
1.095
1.776
1.384
1.516
1.802
1223
oP!
a Bia
1.344
1.344
1.770
1.472
1.329
1.633
1.056
1113
2.068
1.584
1.453
1.599
128
1.397
1.070
1.214
1129
2.060
6.835
1.096
L7Do

102 Wojciech Ciesielski et al. / BioRisk 18: 93-104 (2022)

Sy poy Oy ws i a5

Figure 2. Deformation of the porphine molecule in SMF of flux density increasing from 0 to 100 AFU.
The molecule was situated either in the x-y (a), y-z (b) or x-z (c) planes of the Cartesian system. SMF was

applied along the x-axis.

Conclusions

The planar molecule of porphine deforms when placed in the static magnetic field. The
deformation depends on the situating the molecule against the field. The deformation
engages pyrrole rings holding the hydrogen atoms at the ring nitrogen atoms. The
length of the C-H and N-H bonds is also an essential factor.

Data availability

All data underlying the results are available as part of the article and no additional
source data are required.

Numerically simulated effects of the static magnetic field upon porphine 103

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